data_1cfh_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1cfh _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.646 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.26 94.67 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.653 1.216 . . . . 0.0 113.373 173.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mt -91.78 15.38 12.99 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.509 172.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 37.81 41.96 0.38 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 123.588 1.661 . . . . 0.0 109.408 -173.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -117.88 52.46 1.0 Allowed 'General case' 0 C--O 1.243 0.75 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -167.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.43 -152.38 0.29 Allowed 'General case' 0 C--O 1.246 0.915 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 169.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 m -80.52 160.8 25.1 Favored 'General case' 0 C--O 1.258 1.502 0 O-C-N 121.442 -0.786 . . . . 0.0 109.415 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.5 ttm -65.89 -77.64 0.06 Allowed 'General case' 0 C--N 1.32 -0.707 0 O-C-N 119.935 -1.728 . . . . 0.0 110.517 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.53 -88.95 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.259 1.028 . . . . 0.0 111.586 -174.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.81 -3.68 20.19 Favored 'General case' 0 C--O 1.251 1.177 0 O-C-N 120.849 -1.157 . . . . 0.0 113.348 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm 48.82 23.21 0.64 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 122.11 0.957 . . . . 0.0 110.865 -173.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 58.3 m 49.81 75.77 0.16 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -167.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.9 p -74.12 14.01 0.48 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 -166.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.7 t80 94.78 76.58 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 127.087 2.155 . . . . 0.0 112.437 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 42.92 87.59 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.415 1.086 . . . . 0.0 113.69 172.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 51.11 25.13 2.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.36 0.6 . . . . 0.0 112.3 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.1 82.04 3.61 Favored 'General case' 0 C--O 1.252 1.21 0 C-N-CA 124.439 1.096 . . . . 0.0 111.496 173.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -58.61 -36.77 74.55 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 125.861 2.743 . . . . 0.0 106.47 167.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.73 -138.26 0.1 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 112.996 -1.911 . . . . 0.0 107.607 167.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.269 12.2 p -128.42 64.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 CA-C-O 128.461 3.982 . . . . 0.0 105.516 171.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.11 -89.68 0.08 Allowed 'General case' 0 C--O 1.251 1.143 0 CA-C-N 110.541 -3.027 . . . . 0.0 111.603 -170.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 46.1 mm-40 -77.07 92.67 3.77 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 120.968 -1.082 . . . . 0.0 110.992 -172.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER 160.42 -23.2 0.0 OUTLIER 'General case' 0 C--O 1.243 0.76 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.149 0 O-C-N 121.401 -0.812 . . . . 0.0 113.161 -171.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.595 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -91.73 81.92 5.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.27 1.033 . . . . 0.0 112.439 -173.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt -141.93 -46.74 0.35 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.6 1.191 . . . . 0.0 110.41 173.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.67 30.46 1.69 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.443 1.116 . . . . 0.0 110.558 173.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.77 72.23 0.9 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.522 1.153 . . . . 0.0 111.078 -173.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.27 -6.38 13.69 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 122.758 1.266 . . . . 0.0 113.933 173.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.36 -179.77 8.48 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.884 173.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.9 mmt -85.23 -92.79 0.08 Allowed 'General case' 0 C--N 1.317 -0.813 0 O-C-N 120.645 -1.285 . . . . 0.0 109.644 173.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mp0 -61.41 177.24 0.39 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.869 1.319 . . . . 0.0 110.047 -176.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.44 13.87 0.54 Allowed 'General case' 0 C--O 1.249 1.037 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -50.2 15.67 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 121.182 -0.949 . . . . 0.0 110.721 -172.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.1 m -68.88 -70.95 0.24 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.71 0.767 . . . . 0.0 111.1 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.8 m 46.61 33.39 2.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 123.148 1.451 . . . . 0.0 109.502 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -86.0 165.01 17.04 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 123.383 1.563 . . . . 0.0 113.353 -171.148 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 7.3 mm-40 -134.05 -50.2 0.82 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.44 1.114 . . . . 0.0 109.957 173.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.434 ' CA ' ' CE2' ' A' ' 25' ' ' PHE . 18.9 mm-40 -148.07 13.32 0.99 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.877 172.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.4 101.64 4.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.202 1.001 . . . . 0.0 111.239 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -83.92 31.57 0.49 Allowed 'General case' 0 C--O 1.246 0.914 0 O-C-N 121.587 -0.695 . . . . 0.0 112.794 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 48.26 34.81 4.8 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 123.472 1.606 . . . . 0.0 109.59 -171.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.1 t -134.5 20.08 1.19 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.651 0 CA-C-O 122.523 1.154 . . . . 0.0 111.47 -173.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.58 6.6 10.54 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 121.271 -0.893 . . . . 0.0 112.832 -173.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.56 10.92 1.44 Allowed 'General case' 0 C--O 1.244 0.775 0 O-C-N 121.386 -0.821 . . . . 0.0 112.687 173.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.35 -16.96 8.33 Favored 'General case' 0 C--O 1.244 0.814 0 O-C-N 121.444 -0.785 . . . . 0.0 112.58 -175.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.318 -0.783 0 CA-C-O 122.516 1.15 . . . . 0.0 110.903 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.412 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -170.8 73.15 0.06 Allowed 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 122.097 0.951 . . . . 0.0 111.567 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mt -145.08 -47.56 0.23 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.793 0.806 . . . . 0.0 112.13 -174.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.01 41.42 1.1 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.331 1.062 . . . . 0.0 111.241 -174.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.39 57.07 1.02 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.794 1.283 . . . . 0.0 110.058 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.25 179.55 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 122.901 1.334 . . . . 0.0 111.748 177.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 p -100.23 -84.56 0.42 Allowed 'General case' 0 C--O 1.271 2.195 0 O-C-N 121.097 -1.002 . . . . 0.0 113.148 -171.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.97 -75.5 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.822 0 O-C-N 119.494 -2.004 . . . . 0.0 113.294 -171.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -57.21 -75.34 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.55 1.167 . . . . 0.0 110.828 -174.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.84 8.82 1.34 Allowed 'General case' 0 C--O 1.252 1.236 0 O-C-N 121.026 -1.046 . . . . 0.0 113.253 171.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt 47.63 32.32 2.45 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 123.326 1.536 . . . . 0.0 109.003 -172.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m 49.96 86.5 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 123.218 1.485 . . . . 0.0 107.843 -169.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.6 p -77.95 15.08 0.95 Allowed 'General case' 0 C--O 1.248 1.004 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -168.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -138.99 160.31 40.06 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 122.926 1.346 . . . . 0.0 112.768 -174.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER 174.05 -68.91 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.774 1.273 . . . . 0.0 110.202 173.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.32 12.03 2.79 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.324 1.059 . . . . 0.0 110.953 169.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.12 -80.74 0.07 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 124.149 1.928 . . . . 0.0 112.258 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.6 mtp-105 -63.18 -15.97 58.62 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-N 112.772 -2.013 . . . . 0.0 113.753 -172.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -85.06 14.19 5.29 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.8 t -149.23 19.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.39 0.614 . . . . 0.0 112.135 173.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -105.43 45.11 0.98 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.259 1.028 . . . . 0.0 110.18 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 52.61 13.35 0.32 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.605 -173.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 32.06 37.61 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 123.326 1.536 . . . . 0.0 112.418 -174.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 CA--C 1.511 -0.547 0 O-C-N 120.994 -1.066 . . . . 0.0 112.487 -174.635 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.419 0 CA-C-O 121.877 0.709 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.52 75.08 0.36 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.858 0.837 . . . . 0.0 110.836 174.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.7 mt -109.35 -94.23 0.42 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.51 0.671 . . . . 0.0 112.062 -174.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.39 50.73 1.98 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.903 1.335 . . . . 0.0 110.279 -174.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.2 68.1 1.51 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.569 1.176 . . . . 0.0 109.064 -173.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.78 168.31 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 125.018 2.342 . . . . 0.0 114.605 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 m -80.12 142.52 34.73 Favored 'General case' 0 CA--C 1.513 -0.445 0 O-C-N 120.536 -1.353 . . . . 0.0 111.775 -171.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.5 mmm -59.1 -76.33 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.28 1.038 . . . . 0.0 111.17 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -60.53 -168.11 0.01 OUTLIER 'General case' 0 C--O 1.24 0.603 0 CA-C-O 122.838 1.304 . . . . 0.0 110.153 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -71.31 15.61 0.12 Allowed 'General case' 0 C--O 1.251 1.151 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 176.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -27.8 66.04 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.178 -0.951 . . . . 0.0 110.826 174.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.3 m -125.78 -77.03 0.58 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.594 0.711 . . . . 0.0 111.176 174.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -178.06 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.73 -0.606 . . . . 0.0 110.937 174.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER 179.07 163.3 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.179 0.99 . . . . 0.0 113.452 174.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 72.57 35.41 1.12 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.904 0.859 . . . . 0.0 109.629 -171.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 45.04 30.21 0.56 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.215 1.007 . . . . 0.0 110.086 -172.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.67 92.48 1.98 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 123.286 1.517 . . . . 0.0 114.778 -171.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' VAL . 8.0 mmm180 -75.91 120.58 21.46 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 104.502 -2.407 . . . . 0.0 104.502 162.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.86 75.81 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.876 0 O-C-N 125.622 1.826 . . . . 0.0 108.552 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.0 t -151.07 8.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.243 0.735 0 CA-C-N 115.055 -0.975 . . . . 0.0 113.608 -162.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.431 ' O ' ' CG ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -144.2 29.47 1.31 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 122.098 0.952 . . . . 0.0 113.406 -164.587 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -144.33 40.54 1.34 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.747 0.784 . . . . 0.0 111.495 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -128.18 -31.12 2.36 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.318 -0.776 0 CA-C-O 122.625 1.202 . . . . 0.0 110.937 -174.566 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.384 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.45 -26.51 0.0 OUTLIER 'General case' 0 C--O 1.244 0.792 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -142.65 34.19 1.43 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 122.268 1.032 . . . . 0.0 111.867 -174.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.93 14.24 31.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.47 0.652 . . . . 0.0 111.927 173.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 tpp85 -117.23 24.8 10.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.743 0.783 . . . . 0.0 111.624 -174.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 45.22 80.2 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.731 0.777 . . . . 0.0 111.846 -174.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 m -151.04 94.32 2.04 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.917 0.865 . . . . 0.0 110.79 174.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.42 -61.57 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.012 0.91 . . . . 0.0 111.162 175.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -54.28 -70.51 0.1 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.464 1.126 . . . . 0.0 111.297 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 15.7 mm-40 -71.98 5.41 2.68 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 91.56 -35.38 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 125.929 1.692 . . . . 0.0 108.779 -171.604 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.45 66.14 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.184 171.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 p -41.01 107.51 0.07 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.02 0.914 . . . . 0.0 111.576 -172.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 15.3 p90 -131.12 -61.49 0.92 Allowed 'General case' 0 C--O 1.242 0.707 0 CA-C-O 122.296 1.046 . . . . 0.0 111.907 -173.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.611 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 7.7 mm-40 28.19 73.97 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 125.939 1.696 . . . . 0.0 113.308 -169.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 38.75 31.02 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 125.149 1.38 . . . . 0.0 114.136 174.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.94 88.55 3.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.053 0.93 . . . . 0.0 112.207 -174.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -81.53 -144.52 0.05 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 122.477 1.132 . . . . 0.0 109.429 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -97.02 31.84 2.3 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.526 1.631 . . . . 0.0 109.245 168.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.2 t -123.43 21.34 4.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.896 -173.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -135.75 11.75 3.41 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -173.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -148.34 -44.74 0.15 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 122.381 1.086 . . . . 0.0 110.485 174.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.6 54.46 0.89 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.956 1.36 . . . . 0.0 110.295 174.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.654 0 CA-C-O 122.879 1.323 . . . . 0.0 111.724 174.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.298 0 CA-C-O 122.174 0.874 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -124.35 119.7 30.0 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.06 0.934 . . . . 0.0 111.805 -174.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.36 150.05 30.9 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.789 0.804 . . . . 0.0 110.584 173.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 46.5 55.28 7.71 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 123.145 1.45 . . . . 0.0 110.197 -174.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.08 -8.77 44.88 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 114.958 -1.019 . . . . 0.0 113.496 -172.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 62.34 39.16 12.54 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.776 0.798 . . . . 0.0 111.069 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.6 61.84 0.82 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.892 0.853 . . . . 0.0 112.355 -173.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.6 mtp -144.07 -89.52 0.12 Allowed 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.599 -0.688 . . . . 0.0 110.43 173.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -52.83 62.93 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.785 1.279 . . . . 0.0 110.374 174.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -57.4 -20.94 33.02 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.865 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.57 26.38 12.73 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.105 0.955 . . . . 0.0 110.662 -174.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 74.99 82.33 0.1 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.965 1.364 . . . . 0.0 109.494 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.7 m -49.75 121.04 4.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.86 -171.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.476 ' CE2' ' CD ' ' A' ' 26' ' ' GLU . 0.7 OUTLIER 174.39 171.42 0.22 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.051 0.929 . . . . 0.0 110.564 173.819 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.476 ' CD ' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER 61.61 18.28 9.38 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.076 -1.015 . . . . 0.0 111.113 -171.819 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.24 20.55 0.24 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 173.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.53 85.34 2.05 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.71 1.243 . . . . 0.0 110.258 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -143.91 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 122.363 1.078 . . . . 0.0 110.076 -173.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -96.98 31.9 2.27 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.835 1.303 . . . . 0.0 110.194 171.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -116.7 20.46 6.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 122.329 1.062 . . . . 0.0 110.782 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.53 10.56 4.05 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.448 -172.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.53 11.59 17.12 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.311 -0.868 . . . . 0.0 111.715 172.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -103.68 47.7 0.87 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.405 1.098 . . . . 0.0 110.201 173.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.823 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -174.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.302 0 CA-C-O 122.085 0.825 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -73.55 -125.39 0.0 OUTLIER 'General case' 0 C--O 1.247 0.962 0 O-C-N 121.802 -0.822 . . . . 0.0 110.798 -175.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 79.4 126.04 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.003 -1.061 . . . . 0.0 112.036 174.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 41.62 37.09 0.65 Allowed 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 124.07 0.948 . . . . 0.0 113.212 174.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.71 -54.64 2.04 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 121.806 -0.559 . . . . 0.0 111.269 -174.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 12.2 51.83 0.0 OUTLIER 'General case' 0 C--O 1.246 0.902 0 C-N-CA 127.053 2.141 . . . . 0.0 114.949 -172.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 t -155.3 88.27 1.15 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.259 1.028 . . . . 0.0 112.147 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.8 ttt -162.08 -75.24 0.05 OUTLIER 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.92 173.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.1 -53.02 62.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.831 0.825 . . . . 0.0 110.959 -177.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 3.1 mm-40 -69.81 -11.38 60.82 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 91.96 -36.23 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 126.15 1.78 . . . . 0.0 108.809 -172.305 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.45 37.76 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.087 0.946 . . . . 0.0 110.589 170.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 41.58 100.54 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 123.848 1.785 . . . . 0.0 113.929 176.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 32' ' ' PHE . 81.0 t80 74.28 139.79 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 120.686 -1.259 . . . . 0.0 110.633 174.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -44.92 122.4 3.24 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.363 1.065 . . . . 0.0 113.869 -171.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 35.99 40.54 0.1 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.965 1.364 . . . . 0.0 111.169 176.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.15 90.48 1.57 Allowed 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 122.826 1.298 . . . . 0.0 111.53 -171.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -84.54 21.86 1.41 Allowed 'General case' 0 C--O 1.249 1.034 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -175.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 57.21 23.88 9.2 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.703 1.24 . . . . 0.0 110.0 -169.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.1 t -109.99 18.07 7.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 122.176 0.989 . . . . 0.0 110.97 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -135.98 7.92 3.21 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -171.117 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -137.89 31.39 2.48 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.985 1.374 . . . . 0.0 109.595 172.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 164.2 55.97 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 123.669 1.699 . . . . 0.0 109.631 -172.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.972 0 CA-C-N 114.771 -1.104 . . . . 0.0 113.474 -170.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.4 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -80.41 -117.14 0.02 OUTLIER 'General case' 0 C--O 1.247 0.937 0 O-C-N 122.19 -0.594 . . . . 0.0 110.283 -177.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.3 mt 56.85 -93.14 0.04 OUTLIER 'General case' 0 C--O 1.248 0.975 0 O-C-N 121.586 -0.696 . . . . 0.0 111.76 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 pm0 -126.4 45.4 2.67 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 121.093 -1.005 . . . . 0.0 110.859 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -150.55 63.58 0.94 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.167 0.984 . . . . 0.0 110.755 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -68.3 -148.56 0.01 OUTLIER 'General case' 0 C--O 1.247 0.949 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.297 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 m -80.02 140.7 36.44 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.09 0.948 . . . . 0.0 110.444 -174.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mmm -62.98 -75.7 0.07 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.589 1.185 . . . . 0.0 111.22 -173.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.19 -168.84 0.01 OUTLIER 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.596 1.189 . . . . 0.0 110.003 175.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -70.49 11.02 0.39 Allowed 'General case' 0 C--O 1.251 1.174 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -44.01 64.15 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.194 0.997 . . . . 0.0 110.799 174.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.2 m -136.18 108.21 7.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.656 0.741 . . . . 0.0 110.831 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.0 p -144.34 105.93 4.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.961 0.886 . . . . 0.0 111.449 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -155.05 -42.59 0.08 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.389 0.614 . . . . 0.0 112.474 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -30.9 98.95 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 124.72 1.208 . . . . 0.0 113.812 -174.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 33.33 67.76 0.18 Allowed 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 124.935 1.294 . . . . 0.0 113.196 178.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.47 99.77 3.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.587 0.708 . . . . 0.0 110.501 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -74.0 -31.89 63.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.761 0.791 . . . . 0.0 111.245 -174.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -91.31 22.87 3.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.499 0.666 . . . . 0.0 112.598 174.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.2 t -148.76 22.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 122.003 0.906 . . . . 0.0 111.079 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.18 -41.22 10.57 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.833 0.825 . . . . 0.0 111.81 -173.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -116.43 37.32 3.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.386 0.612 . . . . 0.0 111.727 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -148.23 -31.85 0.27 Allowed 'General case' 0 C--O 1.252 1.19 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.317 -0.822 0 O-C-N 121.029 -1.044 . . . . 0.0 111.572 -173.222 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.28 0 CA-C-O 122.256 0.92 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.3 62.69 1.51 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.064 0.935 . . . . 0.0 110.972 174.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.0 mt -92.0 -126.08 0.09 Allowed 'General case' 0 C--O 1.25 1.111 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.212 176.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' ARG . 3.9 mt-10 -93.78 41.62 1.09 Allowed 'General case' 0 C--N 1.317 -0.831 0 O-C-N 120.993 -1.067 . . . . 0.0 112.452 177.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER 26.33 59.6 0.07 Allowed 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 126.37 1.868 . . . . 0.0 110.953 171.086 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.15 164.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 123.486 1.612 . . . . 0.0 112.93 174.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -86.86 20.05 2.75 Favored 'General case' 0 C--O 1.245 0.846 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -173.655 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.523 ' CB ' ' O ' ' A' ' 18' ' ' CYS . 32.9 ttm 105.74 97.22 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 126.281 1.832 . . . . 0.0 107.327 -168.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.63 -50.13 4.13 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -173.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -35.05 72.12 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.716 0.77 . . . . 0.0 111.059 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.15 9.11 21.01 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 176.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.63 -77.38 0.53 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.348 1.071 . . . . 0.0 109.453 175.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.4 -170.63 0.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.942 173.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER 67.41 -88.07 0.03 OUTLIER 'General case' 0 C--O 1.243 0.735 0 C-N-CA 123.801 0.84 . . . . 0.0 112.402 173.084 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 3.3 mm-40 -28.24 122.65 0.11 Allowed 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 125.435 1.494 . . . . 0.0 114.175 -173.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 51.5 39.99 25.88 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.732 -0.605 . . . . 0.0 111.962 174.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.89 115.49 2.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.489 0.661 . . . . 0.0 110.074 174.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -78.69 0.16 Allowed 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.493 0.663 . . . . 0.0 110.796 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.09 26.0 3.93 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.827 0.822 . . . . 0.0 112.254 -174.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.82 11.11 3.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 122.786 1.279 . . . . 0.0 111.583 173.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.21 -20.65 14.06 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.381 -0.824 . . . . 0.0 112.535 -173.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.41 15.92 2.8 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.75 -10.18 16.18 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.405 -0.809 . . . . 0.0 112.268 173.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.318 -0.763 0 CA-C-O 121.767 0.794 . . . . 0.0 111.494 175.175 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.276 0 CA-C-O 122.063 0.813 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 49.54 26.37 1.7 Allowed 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.926 -0.749 . . . . 0.0 111.236 -174.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt 45.06 56.51 5.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.084 0.945 . . . . 0.0 111.808 -175.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 45.58 69.39 0.46 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 124.659 2.171 . . . . 0.0 110.736 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -14.79 0.21 Allowed 'General case' 0 C--O 1.25 1.096 0 CA-C-N 114.069 -1.423 . . . . 0.0 113.418 173.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.43 -164.44 0.06 Allowed 'General case' 0 C--N 1.318 -0.778 0 O-C-N 121.009 -1.057 . . . . 0.0 110.675 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.2 m -85.71 140.74 30.26 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.159 0.98 . . . . 0.0 111.248 -174.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mtm -62.67 -74.48 0.09 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.539 1.161 . . . . 0.0 110.743 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -167.87 0.01 OUTLIER 'General case' 0 C--O 1.241 0.645 0 CA-C-O 122.564 1.173 . . . . 0.0 109.809 174.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -71.11 3.97 3.08 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 114.498 1.295 . . . . 0.0 114.498 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -54.94 -28.61 52.44 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 121.201 -0.937 . . . . 0.0 111.329 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.1 m -133.14 -43.8 0.86 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.727 0.775 . . . . 0.0 111.263 174.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 p -142.84 135.04 27.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.646 0.736 . . . . 0.0 111.076 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -96.94 -81.06 0.43 Allowed 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.949 0.881 . . . . 0.0 110.624 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -130.31 -47.31 1.09 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 123.529 1.633 . . . . 0.0 109.331 173.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -143.88 47.44 1.44 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.533 1.159 . . . . 0.0 109.55 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.91 10.18 1.26 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -84.13 -75.02 0.36 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 122.848 1.308 . . . . 0.0 110.739 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.37 22.87 4.24 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.66 -174.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.6 t -127.9 24.39 2.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 122.757 1.265 . . . . 0.0 110.451 173.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.11 90.46 2.75 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.309 1.052 . . . . 0.0 110.193 -173.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 64.78 32.34 11.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.695 0.759 . . . . 0.0 111.012 -172.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -177.3 46.89 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 123.024 1.393 . . . . 0.0 110.464 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.7 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -172.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.5 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.75 -173.59 2.33 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.069 -0.665 . . . . 0.0 110.961 176.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 53.71 -146.13 0.56 Allowed 'General case' 0 C--O 1.256 1.437 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -172.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -70.65 -47.71 58.61 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 171.162 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER 128.82 27.45 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 127.835 2.454 . . . . 0.0 113.659 173.674 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 37.51 -155.32 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.298 1.047 . . . . 0.0 111.683 -172.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.95 158.83 16.73 Favored 'General case' 0 C--O 1.244 0.802 0 O-C-N 121.53 -0.731 . . . . 0.0 109.833 171.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -88.93 0.09 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.976 0.893 . . . . 0.0 110.086 -174.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -174.63 0.06 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.459 1.123 . . . . 0.0 110.464 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -72.73 -1.63 17.18 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -51.9 -42.92 63.1 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.474 -0.766 . . . . 0.0 112.48 -172.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.81 -75.82 0.55 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.801 0.81 . . . . 0.0 112.316 -173.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.28 -174.02 0.16 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.696 0.76 . . . . 0.0 110.569 -173.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.471 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -179.22 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -174.242 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 25.1 mm-40 -23.99 -74.91 0.02 OUTLIER 'General case' 0 C--O 1.246 0.879 0 C-N-CA 125.872 1.669 . . . . 0.0 115.116 -171.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -122.21 26.77 8.31 Favored 'General case' 0 C--O 1.248 0.99 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -171.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.95 4.11 8.89 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 173.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.41 100.1 9.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 123.445 1.593 . . . . 0.0 110.219 -173.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 59.81 20.45 9.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 122.107 0.956 . . . . 0.0 112.532 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.73 7.89 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.431 1.11 . . . . 0.0 111.209 171.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -100.27 47.07 0.94 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 124.539 2.114 . . . . 0.0 109.107 -174.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 55.11 7.61 0.2 Allowed 'General case' 0 C--O 1.252 1.204 0 CA-C-N 114.038 -1.437 . . . . 0.0 113.793 -174.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 36.23 59.04 0.97 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 123.894 1.807 . . . . 0.0 108.484 -171.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.368 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -168.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.327 0 CA-C-O 122.38 0.989 . . . . 0.0 113.813 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.82 1.86 32.06 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 121.827 -0.808 . . . . 0.0 112.774 173.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -149.38 29.37 0.78 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 122.057 0.932 . . . . 0.0 111.9 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -126.27 26.56 6.41 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.748 1.261 . . . . 0.0 110.242 171.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.93 16.27 4.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.051 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -63.42 -118.8 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.472 -0.767 . . . . 0.0 109.12 171.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.1 m -76.95 139.42 40.14 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 171.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.3 mtt -71.18 -88.94 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 122.518 1.152 . . . . 0.0 110.274 -170.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -60.38 170.42 1.35 Allowed 'General case' 0 C--O 1.245 0.85 0 CA-C-O 123.032 1.396 . . . . 0.0 109.198 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -74.45 14.91 0.4 Allowed 'General case' 0 C--O 1.25 1.096 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -85.44 -57.49 3.05 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.024 0.916 . . . . 0.0 111.599 -172.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -67.45 0.41 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.618 0.723 . . . . 0.0 110.269 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.3 p 47.82 78.05 0.08 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.488 0.661 . . . . 0.0 110.905 174.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -122.69 19.58 10.28 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -171.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -23.6 43.63 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.669 -0.644 . . . . 0.0 112.268 -173.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -128.73 58.35 1.58 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 122.666 1.222 . . . . 0.0 110.022 173.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.56 -151.15 0.02 OUTLIER 'General case' 0 C--O 1.242 0.705 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.698 -171.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 6.81 0.38 Allowed 'General case' 0 C--O 1.25 1.092 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -171.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.64 13.97 11.06 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 119.066 0.848 . . . . 0.0 112.553 171.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -150.11 17.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.583 0.706 . . . . 0.0 110.802 -174.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -88.05 -15.95 34.91 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.11 31.13 1.77 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.704 0.764 . . . . 0.0 110.236 173.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 46.98 41.01 10.29 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 123.892 1.806 . . . . 0.0 109.462 -172.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.852 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.564 -172.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.289 0 CA-C-O 121.964 0.758 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.29 -42.74 1.82 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.861 0.839 . . . . 0.0 111.232 174.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.4 10.38 2.08 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -174.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.03 27.04 9.39 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.325 -0.859 . . . . 0.0 111.514 174.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.11 19.14 6.5 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 121.908 -0.495 . . . . 0.0 112.273 -174.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 49.69 -147.99 0.3 Allowed 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.259 0.552 . . . . 0.0 110.378 -174.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.71 164.19 22.98 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.506 -0.746 . . . . 0.0 110.317 173.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.74 -85.23 0.09 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.104 0.954 . . . . 0.0 110.293 -174.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -175.74 0.05 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.592 1.187 . . . . 0.0 110.325 175.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -73.75 8.49 1.9 Allowed 'General case' 0 C--O 1.249 1.055 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -72.89 -39.32 66.49 Favored 'General case' 0 C--N 1.316 -0.864 0 O-C-N 121.069 -1.019 . . . . 0.0 111.201 -172.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.07 27.49 3.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.415 0.626 . . . . 0.0 112.124 176.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.1 p -110.43 62.16 0.6 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.998 0.904 . . . . 0.0 110.203 174.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.604 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 1.9 p90 -88.01 -86.27 0.17 Allowed 'General case' 0 C--O 1.253 1.242 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.227 -172.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.604 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 18.6 mm-40 36.29 50.16 0.72 Allowed 'General case' 0 C--N 1.315 -0.925 0 O-C-N 119.055 -2.278 . . . . 0.0 112.278 -165.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 66.45 7.89 5.34 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 172.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.58 81.02 4.05 Favored 'General case' 0 C--O 1.246 0.903 0 C-N-CA 124.28 1.032 . . . . 0.0 110.851 173.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -62.91 -84.78 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.01 0.91 . . . . 0.0 110.83 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -147.83 34.18 0.84 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.198 1.475 . . . . 0.0 109.679 173.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 t -140.37 22.69 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.929 -173.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -126.2 50.43 1.89 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 122.59 1.186 . . . . 0.0 111.305 -170.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -175.53 -35.99 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.273 1.035 . . . . 0.0 111.046 174.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -129.58 64.85 1.49 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.886 0.85 . . . . 0.0 110.875 175.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.033 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -173.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.365 0 CA-C-O 122.255 0.92 . . . . 0.0 113.318 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -148.58 109.87 4.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.69 0.757 . . . . 0.0 110.822 -175.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.8 mt -106.2 -53.78 2.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.247 1.023 . . . . 0.0 111.137 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.12 30.08 1.72 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.514 0.673 . . . . 0.0 112.389 -174.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -115.32 -24.78 8.28 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.629 -0.669 . . . . 0.0 111.76 175.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -161.88 0.9 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.994 0.902 . . . . 0.0 110.635 174.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 m -83.53 136.47 34.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.837 0.827 . . . . 0.0 110.574 173.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -80.55 0.08 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.218 1.008 . . . . 0.0 110.939 -175.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -59.58 -172.5 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.521 1.153 . . . . 0.0 110.184 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -72.69 14.38 0.27 Allowed 'General case' 0 C--O 1.251 1.151 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -46.45 68.51 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.193 -0.942 . . . . 0.0 111.229 -178.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.1 m -121.45 -23.32 5.68 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -175.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.424 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 79.8 p -49.74 107.38 0.15 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.556 0.693 . . . . 0.0 111.385 -174.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 24' ' ' SER . 5.4 p90 45.8 -161.22 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 123.743 0.817 . . . . 0.0 111.429 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 67.04 120.86 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.135 0.969 . . . . 0.0 110.394 -173.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 50.28 68.45 0.76 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.591 1.186 . . . . 0.0 110.26 -173.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.45 177.67 0.18 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 127.106 3.336 . . . . 0.0 115.331 -173.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' CZ ' ' CE1' ' A' ' 32' ' ' PHE . 29.5 mtm180 -82.39 112.15 19.09 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 109.07 -3.696 . . . . 0.0 111.807 -169.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -83.98 36.99 0.58 Allowed 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 128.218 3.866 . . . . 0.0 102.834 147.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.418 ' N ' ' C ' ' A' ' 29' ' ' ARG . 53.6 t -147.5 12.92 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 129.378 3.071 . . . . 0.0 112.125 -158.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.458 ' CE1' ' CZ ' ' A' ' 29' ' ' ARG . 28.8 m-85 -89.4 14.89 10.17 Favored 'General case' 0 C--O 1.243 0.719 0 O-C-N 120.83 -1.169 . . . . 0.0 112.418 -169.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.89 -47.48 2.29 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.796 1.284 . . . . 0.0 110.296 177.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -112.43 77.81 1.08 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.185 0.993 . . . . 0.0 110.003 174.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.245 0.848 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -171.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.39 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -172.27 52.24 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.627 0.727 . . . . 0.0 111.86 174.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.52 -2.85 0.74 Allowed 'General case' 0 C--O 1.249 1.038 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 174.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.15 57.49 0.78 Allowed 'General case' 0 C--N 1.317 -0.837 0 O-C-N 120.955 -1.091 . . . . 0.0 112.015 -174.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.7 64.59 0.99 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.882 0.849 . . . . 0.0 112.29 -173.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -69.78 -1.71 10.04 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 174.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.38 150.35 25.11 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.554 173.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmm -74.84 -83.53 0.06 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.185 0.993 . . . . 0.0 110.119 -174.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -172.12 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.51 1.148 . . . . 0.0 110.35 175.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.88 2.49 6.71 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 175.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.54 -55.51 10.87 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 121.332 -0.855 . . . . 0.0 112.599 -172.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -95.89 -78.4 0.46 Allowed 'General case' 0 C--O 1.242 0.662 0 O-C-N 121.908 -0.495 . . . . 0.0 109.927 -176.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 66.3 144.51 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 123.483 1.611 . . . . 0.0 112.999 174.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 170.68 161.02 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.095 173.37 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.483 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER 174.2 -69.21 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.299 1.047 . . . . 0.0 111.043 174.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -136.27 44.43 2.42 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.774 0.797 . . . . 0.0 111.109 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.96 86.11 1.78 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.822 0.82 . . . . 0.0 111.556 175.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -79.82 -132.07 0.02 OUTLIER 'General case' 0 C--O 1.249 1.051 0 O-C-N 121.732 -0.605 . . . . 0.0 110.547 -175.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -91.88 21.58 4.79 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.005 -1.059 . . . . 0.0 112.703 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 t -107.57 26.21 2.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 122.3 1.048 . . . . 0.0 110.267 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -119.1 -23.95 6.65 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -171.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -88.35 -44.59 10.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.032 0.92 . . . . 0.0 111.87 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.83 68.84 1.49 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.127 0.965 . . . . 0.0 110.27 -174.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.25 1.094 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -171.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.9 t80 . . . . . 0 CA--C 1.511 -0.529 0 CA-C-O 121.965 0.888 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.08 82.01 0.12 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.186 0.993 . . . . 0.0 111.493 174.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.54 52.6 2.0 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.359 1.076 . . . . 0.0 109.725 172.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.6 90.98 0.01 OUTLIER Glycine 0 N--CA 1.473 1.153 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 172.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.51 103.58 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 103.493 -2.78 . . . . 0.0 103.493 -165.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 9' ' ' PHE . 1.7 mp -54.41 99.71 0.03 OUTLIER 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 125.959 2.79 . . . . 0.0 111.601 -158.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.535 ' C ' ' C ' ' A' ' 48' ' ' FMT . 2.5 pt-20 -77.5 -28.49 52.18 Favored 'General case' 0 C--O 1.243 0.728 0 O-C-N 120.101 -1.624 . . . . 0.0 110.617 -170.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -98.02 62.58 1.57 Allowed 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 169.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.433 ' CG ' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -79.9 -159.0 0.19 Allowed 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 117.776 2.51 . . . . 0.0 117.776 -162.647 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.11 122.54 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-O 124.618 2.151 . . . . 0.0 106.941 -170.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -81.5 100.62 9.43 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 113.164 -1.834 . . . . 0.0 113.648 -163.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.13 -55.08 0.18 Allowed Glycine 0 N--CA 1.466 0.646 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 173.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.26 94.67 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.653 1.216 . . . . 0.0 113.373 173.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mt -91.78 15.38 12.99 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.509 172.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 37.81 41.96 0.38 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 123.588 1.661 . . . . 0.0 109.408 -173.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -117.88 52.46 1.0 Allowed 'General case' 0 C--O 1.243 0.75 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -167.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.43 -152.38 0.29 Allowed 'General case' 0 C--O 1.246 0.915 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 169.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.3 m -80.52 160.8 25.1 Favored 'General case' 0 C--O 1.258 1.502 0 O-C-N 121.442 -0.786 . . . . 0.0 109.415 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.5 ttm -65.89 -77.64 0.06 Allowed 'General case' 0 C--N 1.32 -0.707 0 O-C-N 119.935 -1.728 . . . . 0.0 110.517 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.53 -88.95 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.259 1.028 . . . . 0.0 111.586 -174.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.81 -3.68 20.19 Favored 'General case' 0 C--O 1.251 1.177 0 O-C-N 120.849 -1.157 . . . . 0.0 113.348 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm 48.82 23.21 0.64 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 122.11 0.957 . . . . 0.0 110.865 -173.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 58.3 m 49.81 75.77 0.16 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -167.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.9 p -74.12 14.01 0.48 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 -166.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.7 t80 94.78 76.58 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 127.087 2.155 . . . . 0.0 112.437 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 42.92 87.59 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.415 1.086 . . . . 0.0 113.69 172.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 51.11 25.13 2.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.36 0.6 . . . . 0.0 112.3 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.1 82.04 3.61 Favored 'General case' 0 C--O 1.252 1.21 0 C-N-CA 124.439 1.096 . . . . 0.0 111.496 173.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -58.61 -36.77 74.55 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 125.861 2.743 . . . . 0.0 106.47 167.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.73 -138.26 0.1 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 112.996 -1.911 . . . . 0.0 107.607 167.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.269 12.2 p -128.42 64.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 CA-C-O 128.461 3.982 . . . . 0.0 105.516 171.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.11 -89.68 0.08 Allowed 'General case' 0 C--O 1.251 1.143 0 CA-C-N 110.541 -3.027 . . . . 0.0 111.603 -170.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 46.1 mm-40 -77.07 92.67 3.77 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 120.968 -1.082 . . . . 0.0 110.992 -172.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER 160.42 -23.2 0.0 OUTLIER 'General case' 0 C--O 1.243 0.76 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -25.97 68.48 Favored 'General case' 0 C--O 1.251 1.149 0 O-C-N 121.401 -0.812 . . . . 0.0 113.161 -171.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.62 6.86 9.53 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -174.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.91 -63.61 1.3 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.341 1.067 . . . . 0.0 112.136 175.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.74 -160.94 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.7 -1.136 . . . . 0.0 111.713 -168.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.445 ' CA ' ' NE1' ' A' ' 42' ' ' TRP . 85.9 m 54.29 -77.75 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 126.355 1.862 . . . . 0.0 113.889 -169.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.03 -63.65 1.08 Allowed 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.04 -55.95 8.9 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.954 1.359 . . . . 0.0 112.269 -171.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.445 ' NE1' ' CA ' ' A' ' 39' ' ' THR . 41.4 p-90 -76.47 -12.84 60.11 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.013 -0.994 . . . . 0.0 113.492 -172.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.42 17.7 0.14 Allowed 'General case' 0 C--O 1.241 0.638 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 176.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.39 9.88 4.4 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 122.746 1.26 . . . . 0.0 112.181 169.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -150.19 29.52 0.72 Allowed 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 124.351 1.06 . . . . 0.0 109.7 176.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.58 130.88 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 122.842 1.306 . . . . 0.0 110.807 -170.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.178 0 CA-C-O 122.04 0.924 . . . . 0.0 110.999 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' FMT . . . . . 0.535 ' C ' ' C ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.5 p90 . . . . . 0 CA--C 1.511 -0.535 0 CA-C-O 121.91 0.862 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 47.17 68.99 0.55 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.407 1.099 . . . . 0.0 111.186 -176.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 p 58.82 45.45 15.43 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.817 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.96 79.54 1.0 Allowed Glycine 0 N--CA 1.482 1.702 0 N-CA-C 104.129 -3.588 . . . . 0.0 104.129 166.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp 68.17 147.16 0.05 Allowed 'General case' 0 C--O 1.247 0.932 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 -162.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.654 ' CD2' ' CE1' ' A' ' 9' ' ' PHE . 6.0 mt -80.27 55.36 2.2 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 124.561 2.124 . . . . 0.0 108.516 169.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.19 -17.32 52.69 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 125.911 1.684 . . . . 0.0 110.022 -167.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -168.52 77.23 0.13 Allowed 'General case' 0 N--CA 1.469 0.509 0 O-C-N 120.111 -1.618 . . . . 0.0 109.413 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.654 ' CE1' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -60.99 -170.86 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -163.329 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -39.04 129.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-O 125.579 2.609 . . . . 0.0 110.119 -160.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -88.95 -38.31 14.57 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 112.716 -2.038 . . . . 0.0 111.143 -169.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.31 51.81 0.02 OUTLIER Glycine 0 N--CA 1.465 0.595 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -174.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -91.73 81.92 5.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.27 1.033 . . . . 0.0 112.439 -173.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt -141.93 -46.74 0.35 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.6 1.191 . . . . 0.0 110.41 173.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.67 30.46 1.69 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.443 1.116 . . . . 0.0 110.558 173.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.77 72.23 0.9 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.522 1.153 . . . . 0.0 111.078 -173.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.27 -6.38 13.69 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 122.758 1.266 . . . . 0.0 113.933 173.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.36 -179.77 8.48 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.884 173.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.9 mmt -85.23 -92.79 0.08 Allowed 'General case' 0 C--N 1.317 -0.813 0 O-C-N 120.645 -1.285 . . . . 0.0 109.644 173.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mp0 -61.41 177.24 0.39 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.869 1.319 . . . . 0.0 110.047 -176.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.44 13.87 0.54 Allowed 'General case' 0 C--O 1.249 1.037 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -50.2 15.67 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 121.182 -0.949 . . . . 0.0 110.721 -172.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.1 m -68.88 -70.95 0.24 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.71 0.767 . . . . 0.0 111.1 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.8 m 46.61 33.39 2.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 123.148 1.451 . . . . 0.0 109.502 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -86.0 165.01 17.04 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 123.383 1.563 . . . . 0.0 113.353 -171.148 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 7.3 mm-40 -134.05 -50.2 0.82 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.44 1.114 . . . . 0.0 109.957 173.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.434 ' CA ' ' CE2' ' A' ' 25' ' ' PHE . 18.9 mm-40 -148.07 13.32 0.99 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.877 172.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.4 101.64 4.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.202 1.001 . . . . 0.0 111.239 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -83.92 31.57 0.49 Allowed 'General case' 0 C--O 1.246 0.914 0 O-C-N 121.587 -0.695 . . . . 0.0 112.794 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 48.26 34.81 4.8 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 123.472 1.606 . . . . 0.0 109.59 -171.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.1 t -134.5 20.08 1.19 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.651 0 CA-C-O 122.523 1.154 . . . . 0.0 111.47 -173.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.58 6.6 10.54 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 121.271 -0.893 . . . . 0.0 112.832 -173.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.56 10.92 1.44 Allowed 'General case' 0 C--O 1.244 0.775 0 O-C-N 121.386 -0.821 . . . . 0.0 112.687 173.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.35 -16.96 8.33 Favored 'General case' 0 C--O 1.244 0.814 0 O-C-N 121.444 -0.785 . . . . 0.0 112.58 -175.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.17 -28.52 62.26 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 122.516 1.15 . . . . 0.0 110.903 174.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -83.94 25.63 0.79 Allowed 'General case' 0 C--O 1.243 0.757 0 O-C-N 121.163 -0.96 . . . . 0.0 112.974 174.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -44.45 96.7 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.466 -0.771 . . . . 0.0 111.348 -174.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -178.49 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.831 -173.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.459 ' CA ' ' NE1' ' A' ' 42' ' ' TRP . 1.3 m 81.83 -61.94 0.18 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 124.287 1.994 . . . . 0.0 111.839 -168.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -76.07 -38.55 56.93 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 113.683 -1.599 . . . . 0.0 113.777 -172.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -54.15 -49.45 69.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 123.017 1.389 . . . . 0.0 110.474 -173.547 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.459 ' NE1' ' CA ' ' A' ' 39' ' ' THR . 61.3 p-90 -81.07 -12.77 59.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.778 1.275 . . . . 0.0 112.119 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 18.8 0.08 Allowed 'General case' 0 C--O 1.24 0.567 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 173.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -107.63 17.43 22.64 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 122.328 1.061 . . . . 0.0 111.06 171.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -131.45 -34.17 1.4 Allowed 'General case' 0 C--O 1.247 0.968 0 O-C-N 120.992 -1.067 . . . . 0.0 113.034 -174.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.555 ' O ' ' OXT' ' A' ' 47' ' ' ASP . 32.9 m -60.06 99.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 122.015 0.912 . . . . 0.0 110.483 -176.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 1.225 ' OXT' ' CA ' ' A' ' 47' ' ' ASP . 1.5 p30 . . . . . 0 C--O 1.27 2.182 0 CA-C-O 122.011 0.91 . . . . 0.0 111.004 -174.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.446 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.58 0 CA-C-O 121.769 0.795 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -178.69 -36.55 0.01 OUTLIER 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.365 0.603 . . . . 0.0 111.683 -176.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 62.36 165.19 0.1 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.087 0.946 . . . . 0.0 110.523 -174.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.65 -69.26 0.22 Allowed Glycine 0 N--CA 1.464 0.547 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 173.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.67 -43.12 18.97 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 122.597 1.189 . . . . 0.0 110.088 172.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.41 39.35 0.52 Allowed 'General case' 0 C--O 1.252 1.226 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 174.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.28 107.32 0.64 Allowed 'General case' 0 C--N 1.319 -0.73 0 O-C-N 120.415 -1.428 . . . . 0.0 109.338 172.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 50.95 79.86 0.09 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.594 1.188 . . . . 0.0 108.303 -170.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -155.56 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 113.85 1.055 . . . . 0.0 113.85 -169.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -54.03 129.54 15.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-O 125.171 2.415 . . . . 0.0 107.345 -166.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -84.94 -84.55 0.15 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 112.798 -2.001 . . . . 0.0 113.901 -163.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.58 -110.62 3.1 Favored Glycine 0 C--N 1.318 -0.422 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 -172.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -170.8 73.15 0.06 Allowed 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 122.097 0.951 . . . . 0.0 111.567 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mt -145.08 -47.56 0.23 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.793 0.806 . . . . 0.0 112.13 -174.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.01 41.42 1.1 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.331 1.062 . . . . 0.0 111.241 -174.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.39 57.07 1.02 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.794 1.283 . . . . 0.0 110.058 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.25 179.55 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 122.901 1.334 . . . . 0.0 111.748 177.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 p -100.23 -84.56 0.42 Allowed 'General case' 0 C--O 1.271 2.195 0 O-C-N 121.097 -1.002 . . . . 0.0 113.148 -171.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.97 -75.5 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.822 0 O-C-N 119.494 -2.004 . . . . 0.0 113.294 -171.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -57.21 -75.34 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.55 1.167 . . . . 0.0 110.828 -174.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.84 8.82 1.34 Allowed 'General case' 0 C--O 1.252 1.236 0 O-C-N 121.026 -1.046 . . . . 0.0 113.253 171.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt 47.63 32.32 2.45 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 123.326 1.536 . . . . 0.0 109.003 -172.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m 49.96 86.5 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 123.218 1.485 . . . . 0.0 107.843 -169.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.6 p -77.95 15.08 0.95 Allowed 'General case' 0 C--O 1.248 1.004 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -168.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -138.99 160.31 40.06 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 122.926 1.346 . . . . 0.0 112.768 -174.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER 174.05 -68.91 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.774 1.273 . . . . 0.0 110.202 173.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.32 12.03 2.79 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.324 1.059 . . . . 0.0 110.953 169.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.12 -80.74 0.07 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 124.149 1.928 . . . . 0.0 112.258 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.6 mtp-105 -63.18 -15.97 58.62 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-N 112.772 -2.013 . . . . 0.0 113.753 -172.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -85.06 14.19 5.29 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.8 t -149.23 19.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.39 0.614 . . . . 0.0 112.135 173.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -105.43 45.11 0.98 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.259 1.028 . . . . 0.0 110.18 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 52.61 13.35 0.32 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.605 -173.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 32.06 37.61 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 123.326 1.536 . . . . 0.0 112.418 -174.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 t -82.64 -56.29 3.95 Favored 'General case' 0 CA--C 1.511 -0.547 0 O-C-N 120.994 -1.066 . . . . 0.0 112.487 -174.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -82.26 24.94 0.63 Allowed 'General case' 0 C--O 1.253 1.244 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -170.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.551 ' CG ' ' N ' ' A' ' 38' ' ' THR . 1.2 ttp180 -80.78 -95.85 0.04 OUTLIER 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 121.752 0.787 . . . . 0.0 111.153 174.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.551 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -76.61 150.96 36.4 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.449 1.119 . . . . 0.0 111.516 -168.228 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.456 ' N ' ' NE1' ' A' ' 42' ' ' TRP . 2.3 m 124.21 -30.7 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.029 0 C-N-CA 130.255 3.422 . . . . 0.0 109.263 169.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.83 -63.32 1.41 Allowed 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 125.22 2.438 . . . . 0.0 112.717 171.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 41' ' ' PHE . 0.6 OUTLIER -50.24 -67.65 0.24 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-O 124.812 2.244 . . . . 0.0 113.067 -172.105 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.456 ' NE1' ' N ' ' A' ' 39' ' ' THR . 44.7 p-90 -71.43 -12.52 61.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.479 -1.692 . . . . 0.0 111.224 -167.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.59 19.4 0.14 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 120.047 -1.658 . . . . 0.0 115.257 171.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.62 14.34 8.13 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.814 0.816 . . . . 0.0 110.72 169.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -148.92 6.29 0.69 Allowed 'General case' 0 C--O 1.252 1.201 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -173.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 46' ' ' VAL . 6.9 p -72.9 13.1 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 119.22 0.918 . . . . 0.0 113.378 -172.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 . . . . . 0 C--O 1.271 2.204 0 O-C-N 120.767 -1.208 . . . . 0.0 110.973 173.682 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 13.8 t80 . . . . . 0 C--O 1.244 0.775 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.88 98.24 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 122.307 1.051 . . . . 0.0 112.976 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.64 146.77 24.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.742 0.782 . . . . 0.0 110.364 173.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.86 -102.63 2.59 Favored Glycine 0 C--N 1.319 -0.381 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 175.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -55.11 -38.62 68.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.413 0.625 . . . . 0.0 110.702 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.95 62.9 6.76 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 121.667 0.746 . . . . 0.0 110.67 171.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.89 -64.13 1.2 Allowed 'General case' 0 C--O 1.26 1.621 0 O-C-N 120.386 -1.446 . . . . 0.0 110.624 -171.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.6 -76.28 0.26 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 168.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 178.21 140.01 0.09 Allowed 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 124.524 2.107 . . . . 0.0 112.897 159.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -29.43 -39.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 C-N-CA 126.128 1.771 . . . . 0.0 113.544 173.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.02 94.94 0.52 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.726 0.774 . . . . 0.0 110.528 -174.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.41 91.44 0.09 OUTLIER Glycine 0 C--O 1.239 0.419 0 CA-C-O 121.877 0.709 . . . . 0.0 112.159 178.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.52 75.08 0.36 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.858 0.837 . . . . 0.0 110.836 174.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.7 mt -109.35 -94.23 0.42 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.51 0.671 . . . . 0.0 112.062 -174.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.39 50.73 1.98 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.903 1.335 . . . . 0.0 110.279 -174.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.2 68.1 1.51 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.569 1.176 . . . . 0.0 109.064 -173.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.78 168.31 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 125.018 2.342 . . . . 0.0 114.605 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 m -80.12 142.52 34.73 Favored 'General case' 0 CA--C 1.513 -0.445 0 O-C-N 120.536 -1.353 . . . . 0.0 111.775 -171.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.5 mmm -59.1 -76.33 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.28 1.038 . . . . 0.0 111.17 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -60.53 -168.11 0.01 OUTLIER 'General case' 0 C--O 1.24 0.603 0 CA-C-O 122.838 1.304 . . . . 0.0 110.153 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -71.31 15.61 0.12 Allowed 'General case' 0 C--O 1.251 1.151 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 176.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -27.8 66.04 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.178 -0.951 . . . . 0.0 110.826 174.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.3 m -125.78 -77.03 0.58 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.594 0.711 . . . . 0.0 111.176 174.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -178.06 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.73 -0.606 . . . . 0.0 110.937 174.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.529 ' CE2' ' C ' ' A' ' 54' ' ' FMT . 0.0 OUTLIER 179.07 163.3 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.179 0.99 . . . . 0.0 113.452 174.258 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 72.57 35.41 1.12 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.904 0.859 . . . . 0.0 109.629 -171.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 45.04 30.21 0.56 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.215 1.007 . . . . 0.0 110.086 -172.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.67 92.48 1.98 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 123.286 1.517 . . . . 0.0 114.778 -171.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' VAL . 8.0 mmm180 -75.91 120.58 21.46 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 104.502 -2.407 . . . . 0.0 104.502 162.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.86 75.81 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.876 0 O-C-N 125.622 1.826 . . . . 0.0 108.552 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.0 t -151.07 8.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.243 0.735 0 CA-C-N 115.055 -0.975 . . . . 0.0 113.608 -162.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.431 ' O ' ' CG ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -144.2 29.47 1.31 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 122.098 0.952 . . . . 0.0 113.406 -164.587 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -144.33 40.54 1.34 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.747 0.784 . . . . 0.0 111.495 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -128.18 -31.12 2.36 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.9 t -77.0 -32.44 57.17 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.625 1.202 . . . . 0.0 110.937 -174.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -84.65 28.45 0.67 Allowed 'General case' 0 C--O 1.242 0.704 0 O-C-N 121.074 -1.016 . . . . 0.0 112.472 174.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -50.69 71.61 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 121.667 -0.646 . . . . 0.0 111.993 -173.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.26 133.44 56.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 122.347 1.07 . . . . 0.0 112.152 -170.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.473 ' N ' ' NE1' ' A' ' 42' ' ' TRP . 0.8 OUTLIER 150.05 -48.04 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 128.505 2.722 . . . . 0.0 108.297 172.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -78.62 -56.05 4.72 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 112.205 -2.27 . . . . 0.0 112.773 -174.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -54.17 15.49 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 123.238 1.494 . . . . 0.0 110.616 -174.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.473 ' NE1' ' N ' ' A' ' 39' ' ' THR . 70.3 p-90 -84.63 -11.71 55.42 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.734 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.25 -8.97 0.56 Allowed 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.151 -1.42 . . . . 0.0 110.429 171.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.443 ' N ' ' C ' ' A' ' 42' ' ' TRP 0.454 26.0 mt-30 -64.89 -101.41 0.0 OUTLIER 'General case' 0 C--O 1.253 1.248 0 N-CA-C 100.319 -3.956 . . . . 0.0 100.319 156.282 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -152.41 140.92 20.72 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 122.104 2.229 . . . . 0.0 114.858 166.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.46 6.45 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.652 0 O-C-N 121.086 -1.009 . . . . 0.0 113.189 168.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 t0 . . . . . 0 C--O 1.27 2.18 0 CA-C-O 122.108 0.956 . . . . 0.0 111.201 -172.544 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' FMT . . . . . 0.529 ' C ' ' CE2' ' A' ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.404 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 50.5 t80 . . . . . 0 C--O 1.244 0.794 0 CA-C-O 121.059 0.457 . . . . 0.0 111.573 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -44.2 -26.34 0.3 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.706 0.765 . . . . 0.0 110.823 173.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -160.52 -99.12 0.02 OUTLIER 'General case' 0 C--O 1.242 0.71 0 O-C-N 121.936 -0.478 . . . . 0.0 110.665 172.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.38 139.11 0.04 OUTLIER Glycine 0 C--N 1.32 -0.358 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 -172.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 80.82 -16.44 0.65 Allowed 'General case' 0 C--O 1.248 1.007 0 C-N-CA 124.441 1.096 . . . . 0.0 111.3 -176.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -83.27 51.4 1.96 Allowed 'General case' 0 C--N 1.316 -0.866 0 O-C-N 120.899 -1.126 . . . . 0.0 109.767 168.742 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.497 ' C ' ' C ' ' A' ' 48' ' ' FMT . 1.8 pt-20 -67.26 -27.99 67.66 Favored 'General case' 0 C--O 1.272 2.277 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -163.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -58.39 -59.29 5.58 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 168.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.549 ' CD2' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER 91.66 146.62 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.932 1 N-CA-C 122.494 4.257 . . . . 0.0 122.494 156.683 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -27.14 -57.25 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.679 0 C-N-CA 129.557 3.143 . . . . 0.0 112.382 165.068 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.455 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 1.4 pt20 -65.8 138.79 58.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.35 1.072 . . . . 0.0 111.616 -173.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.55 128.86 6.44 Favored Glycine 0 N--CA 1.462 0.384 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -177.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.45 -26.51 0.0 OUTLIER 'General case' 0 C--O 1.244 0.792 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -142.65 34.19 1.43 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 122.268 1.032 . . . . 0.0 111.867 -174.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.93 14.24 31.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.47 0.652 . . . . 0.0 111.927 173.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 tpp85 -117.23 24.8 10.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.743 0.783 . . . . 0.0 111.624 -174.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 45.22 80.2 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.731 0.777 . . . . 0.0 111.846 -174.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 m -151.04 94.32 2.04 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.917 0.865 . . . . 0.0 110.79 174.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.42 -61.57 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.012 0.91 . . . . 0.0 111.162 175.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -54.28 -70.51 0.1 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.464 1.126 . . . . 0.0 111.297 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 15.7 mm-40 -71.98 5.41 2.68 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 91.56 -35.38 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 125.929 1.692 . . . . 0.0 108.779 -171.604 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.45 66.14 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.184 171.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 p -41.01 107.51 0.07 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.02 0.914 . . . . 0.0 111.576 -172.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 15.3 p90 -131.12 -61.49 0.92 Allowed 'General case' 0 C--O 1.242 0.707 0 CA-C-O 122.296 1.046 . . . . 0.0 111.907 -173.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.611 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 7.7 mm-40 28.19 73.97 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 125.939 1.696 . . . . 0.0 113.308 -169.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 38.75 31.02 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 125.149 1.38 . . . . 0.0 114.136 174.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.94 88.55 3.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.053 0.93 . . . . 0.0 112.207 -174.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -81.53 -144.52 0.05 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 122.477 1.132 . . . . 0.0 109.429 173.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -97.02 31.84 2.3 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.526 1.631 . . . . 0.0 109.245 168.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.2 t -123.43 21.34 4.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.896 -173.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -135.75 11.75 3.41 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -173.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -148.34 -44.74 0.15 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 122.381 1.086 . . . . 0.0 110.485 174.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.6 54.46 0.89 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.956 1.36 . . . . 0.0 110.295 174.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.91 -64.57 1.14 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.879 1.323 . . . . 0.0 111.724 174.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.22 29.46 0.66 Allowed 'General case' 0 C--O 1.244 0.809 0 O-C-N 121.282 -0.886 . . . . 0.0 112.801 -175.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -100.92 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.39 0.614 . . . . 0.0 112.15 -174.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.94 -165.44 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 O-C-N 121.608 -0.682 . . . . 0.0 112.123 -168.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.523 ' N ' ' CD1' ' A' ' 42' ' ' TRP . 95.2 m 59.45 -77.08 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 123.858 1.789 . . . . 0.0 113.969 -170.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 124.496 2.093 . . . . 0.0 113.494 173.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -47.52 -62.27 1.52 Allowed 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 113.217 -1.81 . . . . 0.0 113.608 -169.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.523 ' CD1' ' N ' ' A' ' 39' ' ' THR . 21.3 p-90 -62.21 -18.02 59.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.041 -172.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -74.53 22.28 0.1 Allowed 'General case' 0 C--O 1.241 0.634 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 174.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -145.13 11.9 1.37 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 122.268 1.033 . . . . 0.0 112.022 170.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -149.93 22.54 0.87 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 123.827 0.851 . . . . 0.0 110.209 -174.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 46' ' ' VAL . 7.6 p -72.45 9.71 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.583 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -170.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.269 2.112 0 O-C-N 121.171 -0.956 . . . . 0.0 110.615 173.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' FMT . . . . . 0.497 ' C ' ' C ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.153 0 CA-C-O 120.689 0.28 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.34 -10.6 58.38 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 120.814 -1.179 . . . . 0.0 113.97 -173.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.65 -173.51 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 122.391 1.091 . . . . 0.0 110.225 -173.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.42 115.65 1.35 Allowed Glycine 0 N--CA 1.47 0.919 0 N-CA-C 108.771 -1.732 . . . . 0.0 108.771 -173.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 85.65 -48.67 0.07 Allowed 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.92 1.688 . . . . 0.0 108.725 -168.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.557 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -83.52 27.51 0.6 Allowed 'General case' 0 C--O 1.251 1.132 0 C-N-CA 123.921 0.888 . . . . 0.0 111.41 170.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.18 125.09 22.35 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 120.854 -1.154 . . . . 0.0 109.491 -173.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 48.52 79.0 0.08 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 -168.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.557 ' CZ ' ' CD2' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -65.89 -148.85 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -164.777 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.402 ' N ' ' CD1' ' A' ' 9' ' ' PHE . 1.0 OUTLIER -48.78 -22.84 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.654 0 O-C-N 120.319 -1.488 . . . . 0.0 113.488 -168.373 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -87.84 0.01 OUTLIER 'General case' 0 C--O 1.243 0.749 0 O-C-N 122.076 -0.39 . . . . 0.0 110.147 174.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.66 -177.78 25.85 Favored Glycine 0 C--N 1.319 -0.379 0 CA-C-O 122.174 0.874 . . . . 0.0 112.047 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -124.35 119.7 30.0 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.06 0.934 . . . . 0.0 111.805 -174.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.36 150.05 30.9 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.789 0.804 . . . . 0.0 110.584 173.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 46.5 55.28 7.71 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 123.145 1.45 . . . . 0.0 110.197 -174.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.08 -8.77 44.88 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 114.958 -1.019 . . . . 0.0 113.496 -172.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 62.34 39.16 12.54 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.776 0.798 . . . . 0.0 111.069 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.6 61.84 0.82 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.892 0.853 . . . . 0.0 112.355 -173.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.6 mtp -144.07 -89.52 0.12 Allowed 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.599 -0.688 . . . . 0.0 110.43 173.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -52.83 62.93 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.785 1.279 . . . . 0.0 110.374 174.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -57.4 -20.94 33.02 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.865 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.57 26.38 12.73 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.105 0.955 . . . . 0.0 110.662 -174.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 74.99 82.33 0.1 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.965 1.364 . . . . 0.0 109.494 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.7 m -49.75 121.04 4.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.86 -171.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.476 ' CE2' ' CD ' ' A' ' 26' ' ' GLU . 0.7 OUTLIER 174.39 171.42 0.22 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.051 0.929 . . . . 0.0 110.564 173.819 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.476 ' CD ' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER 61.61 18.28 9.38 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.076 -1.015 . . . . 0.0 111.113 -171.819 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.24 20.55 0.24 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 173.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.53 85.34 2.05 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.71 1.243 . . . . 0.0 110.258 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -143.91 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 122.363 1.078 . . . . 0.0 110.076 -173.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -96.98 31.9 2.27 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.835 1.303 . . . . 0.0 110.194 171.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -116.7 20.46 6.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 122.329 1.062 . . . . 0.0 110.782 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.53 10.56 4.05 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.448 -172.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.53 11.59 17.12 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.311 -0.868 . . . . 0.0 111.715 172.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -103.68 47.7 0.87 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.405 1.098 . . . . 0.0 110.201 173.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.35 2.99 16.83 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -174.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.34 17.58 1.31 Allowed 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' CE1' ' A' ' 41' ' ' PHE . 23.2 mtt85 -76.65 95.29 3.93 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.346 0.593 . . . . 0.0 110.905 173.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 1.0 OUTLIER -73.87 -25.19 59.91 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -174.743 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.409 ' O ' ' CE2' ' A' ' 42' ' ' TRP . 2.5 p -36.32 -56.58 0.77 Allowed 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 126.308 2.956 . . . . 0.0 113.463 173.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -62.57 -37.27 85.55 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 111.963 -2.38 . . . . 0.0 113.443 -169.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -57.54 -68.26 0.25 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 124.062 1.887 . . . . 0.0 110.48 -174.801 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.518 ' CD1' ' O ' ' A' ' 38' ' ' THR . 46.1 p-90 -65.3 -13.2 57.89 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 123.706 1.717 . . . . 0.0 110.911 -172.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -75.51 23.91 0.12 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 120.1 -1.625 . . . . 0.0 114.297 169.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -128.72 23.54 5.79 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.67 0.747 . . . . 0.0 110.076 170.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -147.66 -38.0 0.2 Allowed 'General case' 0 C--O 1.249 1.038 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -172.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.3 m -68.33 130.97 33.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.976 0.893 . . . . 0.0 110.492 -173.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.27 2.174 0 CA-C-O 121.94 0.876 . . . . 0.0 111.011 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.435 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 120.656 0.265 . . . . 0.0 110.354 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.435 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 6.8 p30 -141.66 135.01 29.49 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.012 -1.055 . . . . 0.0 110.653 174.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.62 95.0 3.75 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.877 0.846 . . . . 0.0 110.956 -177.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.1 -92.53 1.88 Allowed Glycine 0 C--N 1.32 -0.311 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 174.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -46.13 -37.9 7.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.24 1.019 . . . . 0.0 111.027 177.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.548 ' CD2' ' CE1' ' A' ' 9' ' ' PHE . 1.8 mt -82.47 43.4 0.81 Allowed 'General case' 0 C--O 1.259 1.561 0 C-N-CA 123.456 0.703 . . . . 0.0 112.873 173.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -60.51 115.44 3.59 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 120.255 -1.528 . . . . 0.0 110.055 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 41.64 73.78 0.12 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.514 1.15 . . . . 0.0 109.041 -171.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.548 ' CE1' ' CD2' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -46.79 163.03 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 124.949 2.309 . . . . 0.0 115.625 -168.722 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -31.08 -40.31 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 C-N-CA 125.87 1.668 . . . . 0.0 113.894 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.24 98.75 0.11 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.356 1.074 . . . . 0.0 110.707 -176.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.05 -38.42 0.84 Allowed Glycine 0 C--O 1.237 0.302 0 CA-C-O 122.085 0.825 . . . . 0.0 111.607 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -73.55 -125.39 0.0 OUTLIER 'General case' 0 C--O 1.247 0.962 0 O-C-N 121.802 -0.822 . . . . 0.0 110.798 -175.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 79.4 126.04 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.003 -1.061 . . . . 0.0 112.036 174.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 41.62 37.09 0.65 Allowed 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 124.07 0.948 . . . . 0.0 113.212 174.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.71 -54.64 2.04 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 121.806 -0.559 . . . . 0.0 111.269 -174.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 12.2 51.83 0.0 OUTLIER 'General case' 0 C--O 1.246 0.902 0 C-N-CA 127.053 2.141 . . . . 0.0 114.949 -172.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 t -155.3 88.27 1.15 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.259 1.028 . . . . 0.0 112.147 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.8 ttt -162.08 -75.24 0.05 OUTLIER 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.92 173.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.1 -53.02 62.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.831 0.825 . . . . 0.0 110.959 -177.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 3.1 mm-40 -69.81 -11.38 60.82 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 91.96 -36.23 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 126.15 1.78 . . . . 0.0 108.809 -172.305 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.45 37.76 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.087 0.946 . . . . 0.0 110.589 170.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 41.58 100.54 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 123.848 1.785 . . . . 0.0 113.929 176.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 32' ' ' PHE . 81.0 t80 74.28 139.79 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 120.686 -1.259 . . . . 0.0 110.633 174.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -44.92 122.4 3.24 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.363 1.065 . . . . 0.0 113.869 -171.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 35.99 40.54 0.1 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.965 1.364 . . . . 0.0 111.169 176.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.15 90.48 1.57 Allowed 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 122.826 1.298 . . . . 0.0 111.53 -171.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -84.54 21.86 1.41 Allowed 'General case' 0 C--O 1.249 1.034 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -175.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 57.21 23.88 9.2 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.703 1.24 . . . . 0.0 110.0 -169.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.1 t -109.99 18.07 7.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 122.176 0.989 . . . . 0.0 110.97 -178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -135.98 7.92 3.21 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -171.117 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -137.89 31.39 2.48 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.985 1.374 . . . . 0.0 109.595 172.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 164.2 55.97 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 123.669 1.699 . . . . 0.0 109.631 -172.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -50.08 65.47 Favored 'General case' 0 C--O 1.247 0.972 0 CA-C-N 114.771 -1.104 . . . . 0.0 113.474 -170.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.17 8.33 6.07 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -171.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.8 mtm-85 -84.23 -83.31 0.15 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.301 1.048 . . . . 0.0 110.198 172.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.07 137.96 43.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 122.978 1.371 . . . . 0.0 112.206 -173.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.547 ' N ' ' NE1' ' A' ' 42' ' ' TRP . 1.0 OUTLIER 141.72 -37.23 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 129.622 3.169 . . . . 0.0 107.931 171.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -80.29 -67.34 0.78 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 124.636 2.16 . . . . 0.0 112.95 174.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -48.95 -56.15 9.72 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 114.358 -1.292 . . . . 0.0 113.096 -170.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.547 ' NE1' ' N ' ' A' ' 39' ' ' THR . 61.8 p-90 -72.33 -19.17 61.69 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.148 0.975 . . . . 0.0 112.496 -172.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.485 ' CD ' ' CZ3' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -75.24 18.33 0.21 Allowed 'General case' 0 C--O 1.241 0.647 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 173.051 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.19 17.48 12.36 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 122.99 1.376 . . . . 0.0 110.462 172.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.23 -39.39 0.54 Allowed 'General case' 0 C--O 1.243 0.741 0 O-C-N 120.851 -1.155 . . . . 0.0 112.066 -173.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.0 m -63.73 120.02 9.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 122.251 1.024 . . . . 0.0 110.561 176.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 p30 . . . . . 0 C--O 1.27 2.163 0 CA-C-O 121.843 0.83 . . . . 0.0 110.905 -175.803 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.511 -0.532 0 CA-C-O 121.792 0.806 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -177.67 -30.92 0.01 OUTLIER 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.328 0.585 . . . . 0.0 111.741 175.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 m -74.53 -115.15 0.01 OUTLIER 'General case' 0 C--O 1.249 1.052 0 O-C-N 121.849 -0.532 . . . . 0.0 110.473 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.39 -44.52 2.78 Favored Glycine 0 CA--C 1.542 1.762 0 N-CA-C 105.41 -3.076 . . . . 0.0 105.41 -166.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -68.65 0.64 3.95 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 113.254 -1.473 . . . . 0.0 110.697 166.114 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.535 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 6.9 mt -61.43 -13.59 21.59 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.763 -1.211 . . . . 0.0 110.533 169.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -61.65 -34.51 75.83 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.653 0.74 . . . . 0.0 110.527 173.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -114.33 -66.67 1.06 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 122.639 1.209 . . . . 0.0 108.673 169.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.535 ' CZ ' ' CD2' ' A' ' 6' ' ' LEU . 0.3 OUTLIER 95.25 174.8 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 126.096 1.758 . . . . 0.0 114.734 165.221 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -30.74 -44.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 125.523 1.529 . . . . 0.0 112.271 172.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.88 93.2 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.27 1.033 . . . . 0.0 110.572 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.72 -158.72 7.66 Favored Glycine 0 N--CA 1.462 0.4 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -80.41 -117.14 0.02 OUTLIER 'General case' 0 C--O 1.247 0.937 0 O-C-N 122.19 -0.594 . . . . 0.0 110.283 -177.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.3 mt 56.85 -93.14 0.04 OUTLIER 'General case' 0 C--O 1.248 0.975 0 O-C-N 121.586 -0.696 . . . . 0.0 111.76 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 pm0 -126.4 45.4 2.67 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 121.093 -1.005 . . . . 0.0 110.859 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -150.55 63.58 0.94 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.167 0.984 . . . . 0.0 110.755 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -68.3 -148.56 0.01 OUTLIER 'General case' 0 C--O 1.247 0.949 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.297 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 m -80.02 140.7 36.44 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.09 0.948 . . . . 0.0 110.444 -174.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mmm -62.98 -75.7 0.07 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.589 1.185 . . . . 0.0 111.22 -173.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.19 -168.84 0.01 OUTLIER 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.596 1.189 . . . . 0.0 110.003 175.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -70.49 11.02 0.39 Allowed 'General case' 0 C--O 1.251 1.174 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -44.01 64.15 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.194 0.997 . . . . 0.0 110.799 174.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.2 m -136.18 108.21 7.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.656 0.741 . . . . 0.0 110.831 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.0 p -144.34 105.93 4.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.961 0.886 . . . . 0.0 111.449 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -155.05 -42.59 0.08 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.389 0.614 . . . . 0.0 112.474 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -30.9 98.95 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 124.72 1.208 . . . . 0.0 113.812 -174.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 33.33 67.76 0.18 Allowed 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 124.935 1.294 . . . . 0.0 113.196 178.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.47 99.77 3.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.587 0.708 . . . . 0.0 110.501 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -74.0 -31.89 63.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.761 0.791 . . . . 0.0 111.245 -174.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -91.31 22.87 3.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.499 0.666 . . . . 0.0 112.598 174.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.2 t -148.76 22.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 122.003 0.906 . . . . 0.0 111.079 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.18 -41.22 10.57 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.833 0.825 . . . . 0.0 111.81 -173.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -116.43 37.32 3.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.386 0.612 . . . . 0.0 111.727 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -148.23 -31.85 0.27 Allowed 'General case' 0 C--O 1.252 1.19 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.8 t -62.35 -59.71 4.61 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.029 -1.044 . . . . 0.0 111.572 -173.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -81.41 11.26 4.63 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -173.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -82.96 -53.01 6.17 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.562 0.696 . . . . 0.0 111.572 174.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.43 ' O ' ' CB ' ' A' ' 39' ' ' THR . 0.7 OUTLIER -54.27 176.71 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.513 0.673 . . . . 0.0 110.862 174.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' A' ' 38' ' ' THR . 1.4 m 82.7 -58.64 0.17 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 125.644 2.64 . . . . 0.0 113.83 -172.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -78.63 -61.96 1.84 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 123.844 1.783 . . . . 0.0 112.28 171.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -51.2 -52.05 48.12 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.832 1.301 . . . . 0.0 112.424 -169.439 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.511 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 1.2 p-90 -68.17 -26.89 65.98 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.562 -171.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.28 16.85 0.22 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.36 11.15 38.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.586 1.184 . . . . 0.0 111.693 170.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -133.71 -39.73 0.88 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 124.01 0.924 . . . . 0.0 109.871 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 t -72.38 114.1 10.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 t0 . . . . . 0 C--O 1.27 2.16 0 CA-C-O 122.06 0.934 . . . . 0.0 111.141 -179.142 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.1 t80 . . . . . 0 C--O 1.239 0.527 0 CA-C-O 121.523 0.678 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 51.54 84.29 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.018 0.913 . . . . 0.0 111.761 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.437 ' CB ' ' CB ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER 63.16 -162.56 0.28 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.709 1.242 . . . . 0.0 111.137 178.781 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.61 -34.4 5.6 Favored Glycine 0 N--CA 1.481 1.641 0 N-CA-C 106.451 -2.66 . . . . 0.0 106.451 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.21 -71.59 0.75 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.037 -1.082 . . . . 0.0 109.612 170.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.463 ' O ' ' CB ' ' A' ' 9' ' ' PHE . 23.2 mt -79.67 -70.85 0.48 Allowed 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -172.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.437 ' CB ' ' CB ' ' A' ' 3' ' ' SER . 11.4 mm-40 -55.83 143.5 31.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 123.255 1.502 . . . . 0.0 109.806 -172.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 71.83 -69.57 0.18 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -164.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.463 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER 85.04 166.42 0.09 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 124.745 2.212 . . . . 0.0 116.885 162.578 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -25.65 -42.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 C-N-CA 127.207 2.203 . . . . 0.0 111.742 168.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -83.35 70.66 10.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.721 0.772 . . . . 0.0 110.792 172.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.6 173.02 15.34 Favored Glycine 0 C--N 1.32 -0.333 0 CA-C-O 122.256 0.92 . . . . 0.0 111.892 -173.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.3 62.69 1.51 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.064 0.935 . . . . 0.0 110.972 174.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.0 mt -92.0 -126.08 0.09 Allowed 'General case' 0 C--O 1.25 1.111 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.212 176.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' ARG . 3.9 mt-10 -93.78 41.62 1.09 Allowed 'General case' 0 C--N 1.317 -0.831 0 O-C-N 120.993 -1.067 . . . . 0.0 112.452 177.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER 26.33 59.6 0.07 Allowed 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 126.37 1.868 . . . . 0.0 110.953 171.086 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.15 164.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 123.486 1.612 . . . . 0.0 112.93 174.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -86.86 20.05 2.75 Favored 'General case' 0 C--O 1.245 0.846 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -173.655 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.523 ' CB ' ' O ' ' A' ' 18' ' ' CYS . 32.9 ttm 105.74 97.22 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 126.281 1.832 . . . . 0.0 107.327 -168.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.63 -50.13 4.13 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -173.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -35.05 72.12 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.716 0.77 . . . . 0.0 111.059 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.15 9.11 21.01 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 176.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.63 -77.38 0.53 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.348 1.071 . . . . 0.0 109.453 175.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.4 -170.63 0.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.942 173.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER 67.41 -88.07 0.03 OUTLIER 'General case' 0 C--O 1.243 0.735 0 C-N-CA 123.801 0.84 . . . . 0.0 112.402 173.084 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 3.3 mm-40 -28.24 122.65 0.11 Allowed 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 125.435 1.494 . . . . 0.0 114.175 -173.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 51.5 39.99 25.88 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.732 -0.605 . . . . 0.0 111.962 174.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.89 115.49 2.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.489 0.661 . . . . 0.0 110.074 174.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -78.69 0.16 Allowed 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.493 0.663 . . . . 0.0 110.796 175.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.09 26.0 3.93 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.827 0.822 . . . . 0.0 112.254 -174.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.82 11.11 3.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 122.786 1.279 . . . . 0.0 111.583 173.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.21 -20.65 14.06 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.381 -0.824 . . . . 0.0 112.535 -173.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.41 15.92 2.8 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.75 -10.18 16.18 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.405 -0.809 . . . . 0.0 112.268 173.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t -81.08 -38.42 27.36 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.767 0.794 . . . . 0.0 111.494 175.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -82.84 21.86 0.98 Allowed 'General case' 0 C--O 1.243 0.751 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -81.83 -26.89 33.92 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.368 -0.833 . . . . 0.0 112.187 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.437 ' O ' ' CB ' ' A' ' 39' ' ' THR . 0.2 OUTLIER -57.25 172.75 0.29 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.794 -0.566 . . . . 0.0 111.427 -175.528 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.581 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 0.5 OUTLIER 94.28 -59.28 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 124.068 1.889 . . . . 0.0 109.166 -177.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.581 ' N ' ' CG2' ' A' ' 39' ' ' THR . 9.6 tt0 -76.41 -49.07 17.68 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 113.189 -1.823 . . . . 0.0 114.689 -171.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.449 ' CD2' ' N ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -49.2 -52.48 26.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.106 1.431 . . . . 0.0 110.637 -174.462 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.47 ' NE1' ' CA ' ' A' ' 39' ' ' THR . 50.6 p-90 -77.69 -13.82 59.79 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.377 1.085 . . . . 0.0 112.21 -175.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.42 17.25 0.11 Allowed 'General case' 0 C--O 1.238 0.453 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 172.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.27 18.21 11.49 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 122.402 1.096 . . . . 0.0 110.148 169.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -147.81 13.1 1.02 Allowed 'General case' 0 C--O 1.246 0.901 0 O-C-N 121.596 -0.69 . . . . 0.0 112.19 -173.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.31 127.21 31.91 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-O 121.847 0.832 . . . . 0.0 109.945 -173.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 C--O 1.27 2.167 0 CA-C-O 122.021 0.915 . . . . 0.0 111.055 175.433 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.441 ' N ' ' CD1' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 122.123 0.963 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -142.42 59.54 1.45 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.027 0.918 . . . . 0.0 110.689 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.66 123.13 12.25 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.11 0.957 . . . . 0.0 111.43 -174.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.61 -92.58 0.89 Allowed Glycine 0 N--CA 1.461 0.365 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -52.68 -27.3 16.81 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.036 0.922 . . . . 0.0 110.995 174.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 mt -82.54 39.84 0.63 Allowed 'General case' 0 C--O 1.25 1.125 0 C-N-CA 123.668 0.787 . . . . 0.0 112.452 172.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.01 139.02 54.95 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 120.321 -1.487 . . . . 0.0 110.794 -176.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 44.78 28.25 0.33 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.223 1.011 . . . . 0.0 109.777 -172.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 10' ' ' VAL . 0.7 OUTLIER -13.07 -133.76 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 129.856 3.262 . . . . 0.0 117.285 -169.418 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' N ' ' CD1' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -59.47 -20.76 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 O-C-N 119.997 -1.689 . . . . 0.0 110.896 -173.207 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -83.72 38.29 0.63 Allowed 'General case' 0 C--O 1.247 0.943 0 C-N-CA 123.996 0.918 . . . . 0.0 112.97 172.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.67 -132.35 3.92 Favored Glycine 0 C--N 1.318 -0.42 0 O-C-N 121.237 -0.915 . . . . 0.0 111.241 -174.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 49.54 26.37 1.7 Allowed 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.926 -0.749 . . . . 0.0 111.236 -174.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt 45.06 56.51 5.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.084 0.945 . . . . 0.0 111.808 -175.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 45.58 69.39 0.46 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 124.659 2.171 . . . . 0.0 110.736 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -14.79 0.21 Allowed 'General case' 0 C--O 1.25 1.096 0 CA-C-N 114.069 -1.423 . . . . 0.0 113.418 173.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.43 -164.44 0.06 Allowed 'General case' 0 C--N 1.318 -0.778 0 O-C-N 121.009 -1.057 . . . . 0.0 110.675 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.2 m -85.71 140.74 30.26 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.159 0.98 . . . . 0.0 111.248 -174.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mtm -62.67 -74.48 0.09 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.539 1.161 . . . . 0.0 110.743 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -167.87 0.01 OUTLIER 'General case' 0 C--O 1.241 0.645 0 CA-C-O 122.564 1.173 . . . . 0.0 109.809 174.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' C ' ' C ' ' A' ' 53' ' ' FMT . 13.3 pt-20 -71.11 3.97 3.08 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 114.498 1.295 . . . . 0.0 114.498 177.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -54.94 -28.61 52.44 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 121.201 -0.937 . . . . 0.0 111.329 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.1 m -133.14 -43.8 0.86 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.727 0.775 . . . . 0.0 111.263 174.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 p -142.84 135.04 27.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.646 0.736 . . . . 0.0 111.076 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -96.94 -81.06 0.43 Allowed 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.949 0.881 . . . . 0.0 110.624 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -130.31 -47.31 1.09 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 123.529 1.633 . . . . 0.0 109.331 173.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -143.88 47.44 1.44 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.533 1.159 . . . . 0.0 109.55 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.91 10.18 1.26 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -84.13 -75.02 0.36 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 122.848 1.308 . . . . 0.0 110.739 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.37 22.87 4.24 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.66 -174.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.6 t -127.9 24.39 2.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 122.757 1.265 . . . . 0.0 110.451 173.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.11 90.46 2.75 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.309 1.052 . . . . 0.0 110.193 -173.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 64.78 32.34 11.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.695 0.759 . . . . 0.0 111.012 -172.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -177.3 46.89 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 123.024 1.393 . . . . 0.0 110.464 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.77 -68.58 0.61 Allowed 'General case' 0 C--O 1.242 0.7 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -172.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.78 19.16 0.87 Allowed 'General case' 0 C--O 1.243 0.745 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -171.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 mtp-105 -82.41 -68.27 0.72 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.981 0.896 . . . . 0.0 110.347 172.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.413 ' O ' ' CB ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -57.32 177.33 0.09 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.421 0.629 . . . . 0.0 111.014 173.756 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 0.5 OUTLIER 89.48 -54.0 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 126.326 2.965 . . . . 0.0 108.972 -172.698 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' A' ' 39' ' ' THR . 6.4 tt0 -79.18 -71.38 0.45 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 112.98 -1.918 . . . . 0.0 113.74 174.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.451 ' CG ' ' N ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -49.73 -46.75 50.69 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 122.605 1.193 . . . . 0.0 112.865 -172.068 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.451 ' N ' ' CG ' ' A' ' 41' ' ' PHE . 1.2 p-90 -70.0 -23.0 63.07 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -170.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -74.47 19.88 0.12 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -112.5 27.92 9.22 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.785 0.802 . . . . 0.0 110.925 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -143.86 -39.63 0.3 Allowed 'General case' 0 C--O 1.245 0.817 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -174.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 m -53.87 136.13 15.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 122.06 0.933 . . . . 0.0 110.477 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.271 2.209 0 CA-C-O 122.107 0.956 . . . . 0.0 111.019 176.094 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' FMT . . . . . 0.402 ' C ' ' C ' ' A' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' FMT . . . . . 0.427 ' C ' ' C ' ' A' ' 40' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.478 0 CA-C-O 121.614 0.721 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 3' ' ' SER . 71.8 m-80 -41.5 89.07 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -171.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 2' ' ' ASN . 69.8 m 121.8 140.35 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 127.32 2.248 . . . . 0.0 112.333 171.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.46 -28.48 29.89 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 107.52 -2.232 . . . . 0.0 107.52 167.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -0.35 8.09 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 114.308 -0.946 . . . . 0.0 111.116 168.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.535 ' CD2' ' CZ ' ' A' ' 9' ' ' PHE . 4.2 mt -59.37 -46.95 87.24 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 120.968 -1.083 . . . . 0.0 109.74 172.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.563 ' N ' ' C ' ' A' ' 48' ' ' FMT . 1.4 mp0 -61.96 145.09 53.97 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 166.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 44.63 48.11 8.64 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 123.145 1.45 . . . . 0.0 109.52 -170.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.535 ' CZ ' ' CD2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -61.37 162.13 8.28 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -170.272 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 m -27.46 115.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 125.419 2.533 . . . . 0.0 113.984 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -85.38 -82.34 0.18 Allowed 'General case' 0 C--O 1.247 0.951 0 C-N-CA 126.234 1.814 . . . . 0.0 113.949 -163.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -113.17 -156.98 12.46 Favored Glycine 0 C--O 1.24 0.5 0 O-C-N 121.254 -0.904 . . . . 0.0 110.878 -173.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.75 -173.59 2.33 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.069 -0.665 . . . . 0.0 110.961 176.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 53.71 -146.13 0.56 Allowed 'General case' 0 C--O 1.256 1.437 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -172.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -70.65 -47.71 58.61 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 171.162 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER 128.82 27.45 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 127.835 2.454 . . . . 0.0 113.659 173.674 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 37.51 -155.32 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.298 1.047 . . . . 0.0 111.683 -172.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.95 158.83 16.73 Favored 'General case' 0 C--O 1.244 0.802 0 O-C-N 121.53 -0.731 . . . . 0.0 109.833 171.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -88.93 0.09 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.976 0.893 . . . . 0.0 110.086 -174.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -174.63 0.06 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.459 1.123 . . . . 0.0 110.464 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -72.73 -1.63 17.18 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -51.9 -42.92 63.1 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.474 -0.766 . . . . 0.0 112.48 -172.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.81 -75.82 0.55 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.801 0.81 . . . . 0.0 112.316 -173.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.28 -174.02 0.16 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.696 0.76 . . . . 0.0 110.569 -173.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.471 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -179.22 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -174.242 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 25.1 mm-40 -23.99 -74.91 0.02 OUTLIER 'General case' 0 C--O 1.246 0.879 0 C-N-CA 125.872 1.669 . . . . 0.0 115.116 -171.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -122.21 26.77 8.31 Favored 'General case' 0 C--O 1.248 0.99 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -171.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.95 4.11 8.89 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 173.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.41 100.1 9.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 123.445 1.593 . . . . 0.0 110.219 -173.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 59.81 20.45 9.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 122.107 0.956 . . . . 0.0 112.532 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.73 7.89 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.431 1.11 . . . . 0.0 111.209 171.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -100.27 47.07 0.94 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 124.539 2.114 . . . . 0.0 109.107 -174.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 55.11 7.61 0.2 Allowed 'General case' 0 C--O 1.252 1.204 0 CA-C-N 114.038 -1.437 . . . . 0.0 113.793 -174.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 36.23 59.04 0.97 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 123.894 1.807 . . . . 0.0 108.484 -171.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.68 -17.43 62.95 Favored 'General case' 0 C--O 1.255 1.368 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -168.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.61 -26.84 68.58 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 123.957 1.837 . . . . 0.0 110.88 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -68.38 0.74 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 113.529 -1.669 . . . . 0.0 111.137 172.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.64 140.91 48.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 123.945 1.831 . . . . 0.0 113.187 -171.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.48 ' N ' ' NE1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER 138.89 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 130.724 3.61 . . . . 0.0 107.571 -179.577 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -75.04 0.22 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 125.735 2.683 . . . . 0.0 112.708 172.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.413 ' CG ' ' N ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -47.01 -55.18 8.64 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 112.99 -1.913 . . . . 0.0 113.842 -168.837 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.48 ' NE1' ' N ' ' A' ' 39' ' ' THR . 68.8 p-90 -76.96 -19.95 56.72 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.819 0.818 . . . . 0.0 113.024 -172.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -74.9 22.09 0.11 Allowed 'General case' 0 C--O 1.241 0.639 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.24 21.85 11.58 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.666 0.746 . . . . 0.0 110.732 171.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -137.25 -31.4 0.82 Allowed 'General case' 0 C--O 1.248 1.0 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -173.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.9 m -57.23 133.85 21.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 122.146 0.975 . . . . 0.0 110.659 -174.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.161 0 CA-C-O 122.081 0.943 . . . . 0.0 111.188 -174.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' FMT . . . . . 0.563 ' C ' ' N ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.4 p90 . . . . . 0 CA--C 1.511 -0.534 0 CA-C-O 121.753 0.787 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 m120 63.01 98.6 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.392 1.091 . . . . 0.0 112.22 174.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 76.86 122.61 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.78 1.276 . . . . 0.0 112.905 172.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.53 -104.71 0.25 Allowed Glycine 0 N--CA 1.466 0.678 0 N-CA-C 108.901 -1.679 . . . . 0.0 108.901 172.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -59.89 -31.77 70.12 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.624 1.202 . . . . 0.0 109.425 170.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.547 ' CB ' ' CE2' ' A' ' 9' ' ' PHE . 2.9 mt -80.87 69.83 7.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.918 1.342 . . . . 0.0 110.006 171.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.24 147.55 29.9 Favored 'General case' 0 C--O 1.242 0.706 0 O-C-N 120.929 -1.107 . . . . 0.0 111.979 -171.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 44.77 52.34 7.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 123.164 1.459 . . . . 0.0 109.216 -173.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.547 ' CE2' ' CB ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -45.51 140.7 3.08 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -168.391 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.6 m -31.14 113.06 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-O 125.853 2.74 . . . . 0.0 113.531 177.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -85.63 155.91 20.93 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 126.688 1.995 . . . . 0.0 112.582 -162.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.33 145.68 7.42 Favored Glycine 0 C--N 1.32 -0.338 0 CA-C-O 122.38 0.989 . . . . 0.0 113.813 -172.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.82 1.86 32.06 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 121.827 -0.808 . . . . 0.0 112.774 173.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -149.38 29.37 0.78 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 122.057 0.932 . . . . 0.0 111.9 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -126.27 26.56 6.41 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.748 1.261 . . . . 0.0 110.242 171.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.93 16.27 4.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.051 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -63.42 -118.8 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.472 -0.767 . . . . 0.0 109.12 171.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.1 m -76.95 139.42 40.14 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 171.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.3 mtt -71.18 -88.94 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 122.518 1.152 . . . . 0.0 110.274 -170.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -60.38 170.42 1.35 Allowed 'General case' 0 C--O 1.245 0.85 0 CA-C-O 123.032 1.396 . . . . 0.0 109.198 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -74.45 14.91 0.4 Allowed 'General case' 0 C--O 1.25 1.096 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -85.44 -57.49 3.05 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.024 0.916 . . . . 0.0 111.599 -172.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -67.45 0.41 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.618 0.723 . . . . 0.0 110.269 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.3 p 47.82 78.05 0.08 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.488 0.661 . . . . 0.0 110.905 174.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -122.69 19.58 10.28 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -171.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -23.6 43.63 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.669 -0.644 . . . . 0.0 112.268 -173.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -128.73 58.35 1.58 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 122.666 1.222 . . . . 0.0 110.022 173.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.56 -151.15 0.02 OUTLIER 'General case' 0 C--O 1.242 0.705 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.698 -171.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 6.81 0.38 Allowed 'General case' 0 C--O 1.25 1.092 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -171.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.64 13.97 11.06 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 119.066 0.848 . . . . 0.0 112.553 171.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.7 t -150.11 17.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.583 0.706 . . . . 0.0 110.802 -174.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -88.05 -15.95 34.91 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.11 31.13 1.77 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.704 0.764 . . . . 0.0 110.236 173.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 46.98 41.01 10.29 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 123.892 1.806 . . . . 0.0 109.462 -172.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -8.88 2.99 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.564 -172.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -83.6 22.11 1.13 Allowed 'General case' 0 C--O 1.246 0.917 0 O-C-N 121.048 -1.033 . . . . 0.0 113.754 172.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -45.99 14.69 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.16 -0.963 . . . . 0.0 113.315 -173.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.06 172.52 0.08 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.89 0.852 . . . . 0.0 111.322 -171.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.468 ' CA ' ' NE1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER 80.87 -72.54 0.06 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 124.11 1.91 . . . . 0.0 110.95 -168.334 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -75.16 -49.61 18.94 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 113.519 -1.673 . . . . 0.0 112.725 -172.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.65 -52.89 35.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 123.401 1.572 . . . . 0.0 110.451 -173.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.468 ' NE1' ' CA ' ' A' ' 39' ' ' THR . 33.0 p-90 -76.74 -16.33 59.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.984 -174.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -72.95 21.63 0.07 Allowed 'General case' 0 C--O 1.241 0.651 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 171.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.88 10.09 36.53 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 122.188 0.994 . . . . 0.0 112.082 172.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.564 ' CE1' ' CG2' ' A' ' 46' ' ' VAL . 32.2 p90 -143.14 -54.31 0.39 Allowed 'General case' 0 C--O 1.242 0.71 0 O-C-N 121.372 -0.83 . . . . 0.0 111.073 -173.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.564 ' CG2' ' CE1' ' A' ' 45' ' ' TYR . 6.0 t -69.17 115.46 7.82 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 CA-C-O 121.846 0.832 . . . . 0.0 109.851 174.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.7 p30 . . . . . 0 C--O 1.27 2.173 0 CA-C-O 122.049 0.928 . . . . 0.0 110.97 -174.71 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.442 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 0.3 OUTLIER . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 121.671 0.748 . . . . 0.0 111.295 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 1' ' ' TYR . 2.3 m120 87.94 -22.47 0.14 Allowed 'General case' 0 C--O 1.243 0.713 0 C-N-CA 124.989 1.316 . . . . 0.0 112.232 -176.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 p 56.11 -173.08 0.07 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 122.214 1.007 . . . . 0.0 111.014 173.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 5' ' ' LYS . . . 141.9 106.69 0.61 Allowed Glycine 0 N--CA 1.472 1.053 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 -173.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 42.7 mmtt 86.84 -47.64 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 123.564 1.649 . . . . 0.0 107.686 -167.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.93 48.53 1.37 Allowed 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 125.19 1.396 . . . . 0.0 109.277 165.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -72.38 107.59 5.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.834 0.826 . . . . 0.0 109.715 -174.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 74.1 0.18 3.53 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.798 -172.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -134.93 173.24 11.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 124.198 1.951 . . . . 0.0 114.089 173.581 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.629 ' N ' ' CD1' ' A' ' 9' ' ' PHE . 2.1 t -171.47 -54.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 123.269 1.509 . . . . 0.0 110.386 169.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -82.77 113.02 20.13 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.991 173.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.9 121.14 2.8 Favored Glycine 0 C--O 1.237 0.289 0 CA-C-O 121.964 0.758 . . . . 0.0 111.961 174.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.29 -42.74 1.82 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.861 0.839 . . . . 0.0 111.232 174.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.4 10.38 2.08 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -174.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.03 27.04 9.39 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.325 -0.859 . . . . 0.0 111.514 174.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.11 19.14 6.5 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 121.908 -0.495 . . . . 0.0 112.273 -174.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 49.69 -147.99 0.3 Allowed 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.259 0.552 . . . . 0.0 110.378 -174.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.71 164.19 22.98 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.506 -0.746 . . . . 0.0 110.317 173.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.74 -85.23 0.09 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.104 0.954 . . . . 0.0 110.293 -174.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -175.74 0.05 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.592 1.187 . . . . 0.0 110.325 175.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -73.75 8.49 1.9 Allowed 'General case' 0 C--O 1.249 1.055 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -72.89 -39.32 66.49 Favored 'General case' 0 C--N 1.316 -0.864 0 O-C-N 121.069 -1.019 . . . . 0.0 111.201 -172.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.07 27.49 3.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.415 0.626 . . . . 0.0 112.124 176.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.1 p -110.43 62.16 0.6 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.998 0.904 . . . . 0.0 110.203 174.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.604 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 1.9 p90 -88.01 -86.27 0.17 Allowed 'General case' 0 C--O 1.253 1.242 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.227 -172.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.604 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 18.6 mm-40 36.29 50.16 0.72 Allowed 'General case' 0 C--N 1.315 -0.925 0 O-C-N 119.055 -2.278 . . . . 0.0 112.278 -165.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 66.45 7.89 5.34 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 172.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.58 81.02 4.05 Favored 'General case' 0 C--O 1.246 0.903 0 C-N-CA 124.28 1.032 . . . . 0.0 110.851 173.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -62.91 -84.78 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.01 0.91 . . . . 0.0 110.83 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -147.83 34.18 0.84 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.198 1.475 . . . . 0.0 109.679 173.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 t -140.37 22.69 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.929 -173.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -126.2 50.43 1.89 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 122.59 1.186 . . . . 0.0 111.305 -170.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -175.53 -35.99 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.273 1.035 . . . . 0.0 111.046 174.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -129.58 64.85 1.49 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.886 0.85 . . . . 0.0 110.875 175.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.78 -80.55 0.11 Allowed 'General case' 0 C--O 1.249 1.033 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -173.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -81.92 2.34 31.04 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -170.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 -82.83 -60.2 2.25 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.41 0.624 . . . . 0.0 111.472 -173.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -153.53 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.156 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.486 ' CA ' ' NE1' ' A' ' 42' ' ' TRP . 0.1 OUTLIER 48.7 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 125.92 1.688 . . . . 0.0 113.646 -171.517 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -53.82 -45.67 70.92 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 176.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -46.87 -50.72 18.16 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 122.638 1.209 . . . . 0.0 112.081 -170.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.529 ' CH2' ' CD ' ' A' ' 43' ' ' LYS . 55.3 p-90 -84.11 -19.48 34.18 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 122.015 0.912 . . . . 0.0 112.562 -174.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.529 ' CD ' ' CH2' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -73.33 20.07 0.09 Allowed 'General case' 0 C--O 1.241 0.606 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -179.353 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -114.04 13.15 18.12 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.181 0.991 . . . . 0.0 111.105 169.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -148.67 19.47 1.03 Allowed 'General case' 0 C--O 1.243 0.747 0 O-C-N 121.532 -0.73 . . . . 0.0 110.907 -174.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.9 t -68.88 152.08 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 CA-C-O 122.069 0.938 . . . . 0.0 109.972 -172.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 . . . . . 0 C--O 1.27 2.177 0 CA-C-O 121.992 0.901 . . . . 0.0 110.964 -174.663 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.243 0.718 0 CA-C-O 121.435 0.636 . . . . 0.0 111.904 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 52.26 87.51 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.392 -0.817 . . . . 0.0 111.368 -175.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.56 6.26 18.19 Favored 'General case' 0 C--O 1.259 1.584 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.2 27.11 22.58 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 107.137 -2.385 . . . . 0.0 107.137 -168.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.21 91.03 0.02 OUTLIER 'General case' 0 C--O 1.253 1.245 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -166.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mt -53.42 115.54 1.98 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 124.132 1.92 . . . . 0.0 109.081 -164.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.448 ' C ' ' C ' ' A' ' 48' ' ' FMT . 1.0 OUTLIER -68.24 124.46 23.52 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.511 -165.794 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 56.22 69.65 0.72 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 123.424 1.583 . . . . 0.0 107.193 -165.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -42.77 153.89 0.07 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 126.493 3.044 . . . . 0.0 117.845 -163.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -24.02 -43.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 C-N-CA 127.674 2.39 . . . . 0.0 113.47 173.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.64 88.25 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.251 1.024 . . . . 0.0 109.877 171.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.96 144.21 17.06 Favored Glycine 0 C--N 1.319 -0.388 0 CA-C-O 122.255 0.92 . . . . 0.0 113.318 -171.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -148.58 109.87 4.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.69 0.757 . . . . 0.0 110.822 -175.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.8 mt -106.2 -53.78 2.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.247 1.023 . . . . 0.0 111.137 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.12 30.08 1.72 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.514 0.673 . . . . 0.0 112.389 -174.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -115.32 -24.78 8.28 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.629 -0.669 . . . . 0.0 111.76 175.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -161.88 0.9 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.994 0.902 . . . . 0.0 110.635 174.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.1 m -83.53 136.47 34.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.837 0.827 . . . . 0.0 110.574 173.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -80.55 0.08 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.218 1.008 . . . . 0.0 110.939 -175.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -59.58 -172.5 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.521 1.153 . . . . 0.0 110.184 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -72.69 14.38 0.27 Allowed 'General case' 0 C--O 1.251 1.151 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -46.45 68.51 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.193 -0.942 . . . . 0.0 111.229 -178.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.1 m -121.45 -23.32 5.68 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -175.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.424 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 79.8 p -49.74 107.38 0.15 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.556 0.693 . . . . 0.0 111.385 -174.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 24' ' ' SER . 5.4 p90 45.8 -161.22 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 123.743 0.817 . . . . 0.0 111.429 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 67.04 120.86 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.135 0.969 . . . . 0.0 110.394 -173.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 50.28 68.45 0.76 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.591 1.186 . . . . 0.0 110.26 -173.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.45 177.67 0.18 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 127.106 3.336 . . . . 0.0 115.331 -173.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' CZ ' ' CE1' ' A' ' 32' ' ' PHE . 29.5 mtm180 -82.39 112.15 19.09 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 109.07 -3.696 . . . . 0.0 111.807 -169.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -83.98 36.99 0.58 Allowed 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 128.218 3.866 . . . . 0.0 102.834 147.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.418 ' N ' ' C ' ' A' ' 29' ' ' ARG . 53.6 t -147.5 12.92 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 129.378 3.071 . . . . 0.0 112.125 -158.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.458 ' CE1' ' CZ ' ' A' ' 29' ' ' ARG . 28.8 m-85 -89.4 14.89 10.17 Favored 'General case' 0 C--O 1.243 0.719 0 O-C-N 120.83 -1.169 . . . . 0.0 112.418 -169.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.89 -47.48 2.29 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.796 1.284 . . . . 0.0 110.296 177.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -112.43 77.81 1.08 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.185 0.993 . . . . 0.0 110.003 174.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t -79.36 -53.5 6.86 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -171.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -80.2 -0.26 35.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 -170.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -83.82 -57.87 3.03 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.331 0.586 . . . . 0.0 110.982 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.2 m -54.92 -101.88 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 171.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.516 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 1.5 p 28.98 -78.04 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 125.85 2.738 . . . . 0.0 117.447 167.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -76.78 -51.5 11.26 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 123.852 1.786 . . . . 0.0 110.999 -175.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CG ' ' N ' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -48.78 -58.23 5.11 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 122.544 1.164 . . . . 0.0 113.081 178.726 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.516 ' CD1' ' O ' ' A' ' 39' ' ' THR . 5.1 p-90 -70.01 -28.91 65.88 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.892 -170.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -75.59 16.58 0.36 Allowed 'General case' 0 C--O 1.242 0.709 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 173.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.16 17.62 23.74 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 122.158 0.98 . . . . 0.0 110.965 172.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -124.56 -29.23 3.49 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 121.586 -0.696 . . . . 0.0 111.585 -176.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.0 m -71.82 133.89 30.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 O-C-N 121.445 -0.784 . . . . 0.0 110.151 174.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t0 . . . . . 0 C--O 1.269 2.127 0 CA-C-O 121.993 0.901 . . . . 0.0 110.966 -176.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' FMT . . . . . 0.448 ' C ' ' C ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 48.9 t80 . . . . . 0 C--O 1.239 0.551 0 CA-C-O 121.527 0.679 . . . . 0.0 111.724 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 80.24 59.87 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.243 1.02 . . . . 0.0 111.563 173.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -91.61 -33.07 15.25 Favored 'General case' 0 C--O 1.251 1.132 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.839 173.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.79 52.11 54.44 Favored Glycine 0 CA--C 1.553 2.449 1 N-CA-C 102.385 -4.286 . . . . 0.0 102.385 -167.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.98 135.46 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 112.302 -1.949 . . . . 0.0 106.135 -162.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.525 ' CD2' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -74.21 62.74 0.95 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 124.602 2.144 . . . . 0.0 107.669 171.602 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.53 -20.63 39.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 123.91 1.814 . . . . 0.0 109.446 -165.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.42 -46.06 0.46 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 123.244 1.497 . . . . 0.0 108.408 172.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.525 ' CE2' ' CD2' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -58.26 128.32 36.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.612 170.804 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 9' ' ' PHE . 48.2 t -165.21 -53.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 122.465 1.126 . . . . 0.0 111.223 168.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -95.95 0.0 OUTLIER 'General case' 0 C--O 1.243 0.736 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.793 -171.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.61 -88.38 0.5 Allowed Glycine 0 C--N 1.318 -0.454 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 -172.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -172.27 52.24 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.627 0.727 . . . . 0.0 111.86 174.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.52 -2.85 0.74 Allowed 'General case' 0 C--O 1.249 1.038 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 174.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.15 57.49 0.78 Allowed 'General case' 0 C--N 1.317 -0.837 0 O-C-N 120.955 -1.091 . . . . 0.0 112.015 -174.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.7 64.59 0.99 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.882 0.849 . . . . 0.0 112.29 -173.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -69.78 -1.71 10.04 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 174.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.38 150.35 25.11 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.554 173.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmm -74.84 -83.53 0.06 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.185 0.993 . . . . 0.0 110.119 -174.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -172.12 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.51 1.148 . . . . 0.0 110.35 175.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.88 2.49 6.71 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 175.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.54 -55.51 10.87 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 121.332 -0.855 . . . . 0.0 112.599 -172.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -95.89 -78.4 0.46 Allowed 'General case' 0 C--O 1.242 0.662 0 O-C-N 121.908 -0.495 . . . . 0.0 109.927 -176.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 66.3 144.51 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 123.483 1.611 . . . . 0.0 112.999 174.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 170.68 161.02 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.095 173.37 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER 174.2 -69.21 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.299 1.047 . . . . 0.0 111.043 174.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -136.27 44.43 2.42 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.774 0.797 . . . . 0.0 111.109 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.96 86.11 1.78 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.822 0.82 . . . . 0.0 111.556 175.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -79.82 -132.07 0.02 OUTLIER 'General case' 0 C--O 1.249 1.051 0 O-C-N 121.732 -0.605 . . . . 0.0 110.547 -175.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -91.88 21.58 4.79 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.005 -1.059 . . . . 0.0 112.703 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 t -107.57 26.21 2.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 122.3 1.048 . . . . 0.0 110.267 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -119.1 -23.95 6.65 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -171.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -88.35 -44.59 10.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.032 0.92 . . . . 0.0 111.87 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.83 68.84 1.49 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.127 0.965 . . . . 0.0 110.27 -174.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.453 ' CG2' ' N ' ' A' ' 36' ' ' GLU . 3.7 t -80.42 -57.83 3.41 Favored 'General case' 0 C--O 1.25 1.094 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -171.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.0 OUTLIER -76.13 2.66 12.38 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -172.378 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 -84.35 -64.56 1.14 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 122.573 1.178 . . . . 0.0 110.456 173.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.407 ' O ' ' CB ' ' A' ' 39' ' ' THR . 0.2 OUTLIER -69.35 -173.24 0.53 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.334 178.739 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 38' ' ' THR . 2.4 m 81.52 -63.63 0.16 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 124.23 1.967 . . . . 0.0 113.998 -172.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -71.4 0.08 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 124.557 2.123 . . . . 0.0 113.461 174.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -47.23 -58.22 4.32 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-N 112.828 -1.987 . . . . 0.0 113.777 -167.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.416 ' N ' ' CG ' ' A' ' 41' ' ' PHE . 47.2 p-90 -69.9 -13.28 62.17 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 122.37 1.081 . . . . 0.0 113.084 -172.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.62 21.57 0.08 Allowed 'General case' 0 C--O 1.241 0.61 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 174.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.48 14.79 5.5 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.519 0.676 . . . . 0.0 111.983 170.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.72 12.6 0.89 Allowed 'General case' 0 C--O 1.247 0.944 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.44 114.93 5.83 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 122.032 0.92 . . . . 0.0 109.917 -173.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.27 2.176 0 CA-C-O 121.997 0.903 . . . . 0.0 110.936 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.646 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 49.26 94.67 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.653 1.216 . . . . 0.0 113.373 173.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 6.5 mt -91.78 15.38 12.99 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.509 172.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 37.81 41.96 0.38 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 123.588 1.661 . . . . 0.0 109.408 -173.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 1.2 tpp180 -117.88 52.46 1.0 Allowed 'General case' 0 C--O 1.243 0.75 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -167.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.56 ' HG2' ' HD2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -91.43 -152.38 0.29 Allowed 'General case' 0 C--O 1.246 0.915 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 169.138 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.499 ' HB2' ' CA ' ' A' ' 22' ' ' LYS . 5.3 m -80.52 160.8 25.1 Favored 'General case' 0 C--O 1.258 1.502 0 O-C-N 121.442 -0.786 . . . . 0.0 109.415 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.5 ttm -65.89 -77.64 0.06 Allowed 'General case' 0 C--N 1.32 -0.707 0 O-C-N 119.935 -1.728 . . . . 0.0 110.517 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.53 -88.95 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.259 1.028 . . . . 0.0 111.586 -174.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.81 -3.68 20.19 Favored 'General case' 0 C--O 1.251 1.177 0 O-C-N 120.849 -1.157 . . . . 0.0 113.348 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.56 ' HD2' ' HG2' ' A' ' 17' ' ' GLU . 4.1 mmtm 48.82 23.21 0.64 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 122.11 0.957 . . . . 0.0 110.865 -173.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 58.3 m 49.81 75.77 0.16 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -167.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.9 p -74.12 14.01 0.48 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 -166.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 71.7 t80 94.78 76.58 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 127.087 2.155 . . . . 0.0 112.437 173.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 42.92 87.59 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.415 1.086 . . . . 0.0 113.69 172.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 51.11 25.13 2.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.36 0.6 . . . . 0.0 112.3 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -77.1 82.04 3.61 Favored 'General case' 0 C--O 1.252 1.21 0 C-N-CA 124.439 1.096 . . . . 0.0 111.496 173.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 10.9 tpt180 -58.61 -36.77 74.55 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 125.861 2.743 . . . . 0.0 106.47 167.136 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' HB1' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -143.73 -138.26 0.1 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 112.996 -1.911 . . . . 0.0 107.607 167.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.269 12.2 p -128.42 64.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 CA-C-O 128.461 3.982 . . . . 0.0 105.516 171.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.11 -89.68 0.08 Allowed 'General case' 0 C--O 1.251 1.143 0 CA-C-N 110.541 -3.027 . . . . 0.0 111.603 -170.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 46.1 mm-40 -77.07 92.67 3.77 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 120.968 -1.082 . . . . 0.0 110.992 -172.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER 160.42 -23.2 0.0 OUTLIER 'General case' 0 C--O 1.243 0.76 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.149 0 O-C-N 121.401 -0.812 . . . . 0.0 113.161 -171.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.595 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.722 ' O ' HD23 ' A' ' 14' ' ' LEU . 1.6 t-20 -91.73 81.92 5.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.27 1.033 . . . . 0.0 112.439 -173.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.722 HD23 ' O ' ' A' ' 13' ' ' ASN . 2.6 mt -141.93 -46.74 0.35 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.6 1.191 . . . . 0.0 110.41 173.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.67 30.46 1.69 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.443 1.116 . . . . 0.0 110.558 173.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.77 72.23 0.9 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.522 1.153 . . . . 0.0 111.078 -173.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.27 -6.38 13.69 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 122.758 1.266 . . . . 0.0 113.933 173.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.36 -179.77 8.48 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.884 173.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.9 mmt -85.23 -92.79 0.08 Allowed 'General case' 0 C--N 1.317 -0.813 0 O-C-N 120.645 -1.285 . . . . 0.0 109.644 173.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mp0 -61.41 177.24 0.39 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.869 1.319 . . . . 0.0 110.047 -176.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.44 13.87 0.54 Allowed 'General case' 0 C--O 1.249 1.037 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -50.2 15.67 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 121.182 -0.949 . . . . 0.0 110.721 -172.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.1 m -68.88 -70.95 0.24 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.71 0.767 . . . . 0.0 111.1 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.8 m 46.61 33.39 2.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 123.148 1.451 . . . . 0.0 109.502 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -86.0 165.01 17.04 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 123.383 1.563 . . . . 0.0 113.353 -171.148 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 7.3 mm-40 -134.05 -50.2 0.82 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.44 1.114 . . . . 0.0 109.957 173.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.545 ' HA ' ' CE2' ' A' ' 25' ' ' PHE . 18.9 mm-40 -148.07 13.32 0.99 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.877 172.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.4 101.64 4.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.202 1.001 . . . . 0.0 111.239 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.872 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.4 tpt180 -83.92 31.57 0.49 Allowed 'General case' 0 C--O 1.246 0.914 0 O-C-N 121.587 -0.695 . . . . 0.0 112.794 173.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 48.26 34.81 4.8 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 123.472 1.606 . . . . 0.0 109.59 -171.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 29' ' ' ARG . 70.1 t -134.5 20.08 1.19 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.651 0 CA-C-O 122.523 1.154 . . . . 0.0 111.47 -173.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.58 6.6 10.54 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 121.271 -0.893 . . . . 0.0 112.832 -173.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.56 10.92 1.44 Allowed 'General case' 0 C--O 1.244 0.775 0 O-C-N 121.386 -0.821 . . . . 0.0 112.687 173.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -120.35 -16.96 8.33 Favored 'General case' 0 C--O 1.244 0.814 0 O-C-N 121.444 -0.785 . . . . 0.0 112.58 -175.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.318 -0.783 0 CA-C-O 122.516 1.15 . . . . 0.0 110.903 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.412 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -170.8 73.15 0.06 Allowed 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 122.097 0.951 . . . . 0.0 111.567 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mt -145.08 -47.56 0.23 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.793 0.806 . . . . 0.0 112.13 -174.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.01 41.42 1.1 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.331 1.062 . . . . 0.0 111.241 -174.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.39 57.07 1.02 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.794 1.283 . . . . 0.0 110.058 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' CB ' ' HB2' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -54.25 179.55 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 122.901 1.334 . . . . 0.0 111.748 177.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 p -100.23 -84.56 0.42 Allowed 'General case' 0 C--O 1.271 2.195 0 O-C-N 121.097 -1.002 . . . . 0.0 113.148 -171.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.97 -75.5 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.822 0 O-C-N 119.494 -2.004 . . . . 0.0 113.294 -171.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -57.21 -75.34 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.55 1.167 . . . . 0.0 110.828 -174.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 24' ' ' SER . 2.6 mm-40 -72.84 8.82 1.34 Allowed 'General case' 0 C--O 1.252 1.236 0 O-C-N 121.026 -1.046 . . . . 0.0 113.253 171.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt 47.63 32.32 2.45 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 123.326 1.536 . . . . 0.0 109.003 -172.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.461 ' HB2' ' CB ' ' A' ' 17' ' ' GLU . 1.6 m 49.96 86.5 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 123.218 1.485 . . . . 0.0 107.843 -169.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.443 ' HB3' ' HB3' ' A' ' 21' ' ' GLU . 28.6 p -77.95 15.08 0.95 Allowed 'General case' 0 C--O 1.248 1.004 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -168.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -138.99 160.31 40.06 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 122.926 1.346 . . . . 0.0 112.768 -174.84 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER 174.05 -68.91 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.774 1.273 . . . . 0.0 110.202 173.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.32 12.03 2.79 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.324 1.059 . . . . 0.0 110.953 169.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.12 -80.74 0.07 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 124.149 1.928 . . . . 0.0 112.258 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.6 mtp-105 -63.18 -15.97 58.62 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-N 112.772 -2.013 . . . . 0.0 113.753 -172.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -85.06 14.19 5.29 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 31' ' ' VAL . 45.8 t -149.23 19.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.39 0.614 . . . . 0.0 112.135 173.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -105.43 45.11 0.98 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.259 1.028 . . . . 0.0 110.18 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 52.61 13.35 0.32 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.605 -173.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 32.06 37.61 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 123.326 1.536 . . . . 0.0 112.418 -174.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 CA--C 1.511 -0.547 0 O-C-N 120.994 -1.066 . . . . 0.0 112.487 -174.635 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.419 0 CA-C-O 121.877 0.709 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -163.52 75.08 0.36 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.858 0.837 . . . . 0.0 110.836 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.7 mt -109.35 -94.23 0.42 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.51 0.671 . . . . 0.0 112.062 -174.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.39 50.73 1.98 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.903 1.335 . . . . 0.0 110.279 -174.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.2 68.1 1.51 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.569 1.176 . . . . 0.0 109.064 -173.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.78 168.31 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 125.018 2.342 . . . . 0.0 114.605 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 m -80.12 142.52 34.73 Favored 'General case' 0 CA--C 1.513 -0.445 0 O-C-N 120.536 -1.353 . . . . 0.0 111.775 -171.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.5 mmm -59.1 -76.33 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.28 1.038 . . . . 0.0 111.17 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -60.53 -168.11 0.01 OUTLIER 'General case' 0 C--O 1.24 0.603 0 CA-C-O 122.838 1.304 . . . . 0.0 110.153 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -71.31 15.61 0.12 Allowed 'General case' 0 C--O 1.251 1.151 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 176.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -27.8 66.04 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.178 -0.951 . . . . 0.0 110.826 174.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.3 m -125.78 -77.03 0.58 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.594 0.711 . . . . 0.0 111.176 174.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -178.06 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.73 -0.606 . . . . 0.0 110.937 174.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.47 ' CE2' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 179.07 163.3 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.179 0.99 . . . . 0.0 113.452 174.258 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 2.2 mm-40 72.57 35.41 1.12 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.904 0.859 . . . . 0.0 109.629 -171.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 45.04 30.21 0.56 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.215 1.007 . . . . 0.0 110.086 -172.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.67 92.48 1.98 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 123.286 1.517 . . . . 0.0 114.778 -171.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' VAL . 8.0 mmm180 -75.91 120.58 21.46 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 104.502 -2.407 . . . . 0.0 104.502 162.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.86 75.81 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.876 0 O-C-N 125.622 1.826 . . . . 0.0 108.552 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.0 t -151.07 8.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.243 0.735 0 CA-C-N 115.055 -0.975 . . . . 0.0 113.608 -162.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.431 ' CG ' ' O ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -144.2 29.47 1.31 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 122.098 0.952 . . . . 0.0 113.406 -164.587 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -144.33 40.54 1.34 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.747 0.784 . . . . 0.0 111.495 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -128.18 -31.12 2.36 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.318 -0.776 0 CA-C-O 122.625 1.202 . . . . 0.0 110.937 -174.566 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.384 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 168.45 -26.51 0.0 OUTLIER 'General case' 0 C--O 1.244 0.792 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -142.65 34.19 1.43 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 122.268 1.032 . . . . 0.0 111.867 -174.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.93 14.24 31.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.47 0.652 . . . . 0.0 111.927 173.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 16' ' ' ARG . 11.1 tpp85 -117.23 24.8 10.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.743 0.783 . . . . 0.0 111.624 -174.02 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 45.22 80.2 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.731 0.777 . . . . 0.0 111.846 -174.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 1.2 m -151.04 94.32 2.04 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.917 0.865 . . . . 0.0 110.79 174.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.42 -61.57 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.012 0.91 . . . . 0.0 111.162 175.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -54.28 -70.51 0.1 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.464 1.126 . . . . 0.0 111.297 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 15.7 mm-40 -71.98 5.41 2.68 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 91.56 -35.38 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 125.929 1.692 . . . . 0.0 108.779 -171.604 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 179.45 66.14 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.184 171.018 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 p -41.01 107.51 0.07 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.02 0.914 . . . . 0.0 111.576 -172.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 15.3 p90 -131.12 -61.49 0.92 Allowed 'General case' 0 C--O 1.242 0.707 0 CA-C-O 122.296 1.046 . . . . 0.0 111.907 -173.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.611 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 7.7 mm-40 28.19 73.97 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 125.939 1.696 . . . . 0.0 113.308 -169.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 38.75 31.02 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 125.149 1.38 . . . . 0.0 114.136 174.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.94 88.55 3.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.053 0.93 . . . . 0.0 112.207 -174.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.632 ' HB3' HG23 ' A' ' 31' ' ' VAL . 4.4 ttp180 -81.53 -144.52 0.05 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 122.477 1.132 . . . . 0.0 109.429 173.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -97.02 31.84 2.3 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.526 1.631 . . . . 0.0 109.245 168.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 29' ' ' ARG . 12.2 t -123.43 21.34 4.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.896 -173.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -135.75 11.75 3.41 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -173.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -148.34 -44.74 0.15 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 122.381 1.086 . . . . 0.0 110.485 174.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -117.6 54.46 0.89 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.956 1.36 . . . . 0.0 110.295 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.565 HG23 ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.654 0 CA-C-O 122.879 1.323 . . . . 0.0 111.724 174.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.298 0 CA-C-O 122.174 0.874 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -124.35 119.7 30.0 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.06 0.934 . . . . 0.0 111.805 -174.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.36 150.05 30.9 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.789 0.804 . . . . 0.0 110.584 173.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 46.5 55.28 7.71 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 123.145 1.45 . . . . 0.0 110.197 -174.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.08 -8.77 44.88 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 114.958 -1.019 . . . . 0.0 113.496 -172.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 62.34 39.16 12.54 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.776 0.798 . . . . 0.0 111.069 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.6 61.84 0.82 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.892 0.853 . . . . 0.0 112.355 -173.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.6 mtp -144.07 -89.52 0.12 Allowed 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.599 -0.688 . . . . 0.0 110.43 173.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -52.83 62.93 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.785 1.279 . . . . 0.0 110.374 174.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -57.4 -20.94 33.02 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.865 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.57 26.38 12.73 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.105 0.955 . . . . 0.0 110.662 -174.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 74.99 82.33 0.1 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.965 1.364 . . . . 0.0 109.494 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.7 m -49.75 121.04 4.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.86 -171.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.522 ' C ' ' HG2' ' A' ' 26' ' ' GLU . 0.7 OUTLIER 174.39 171.42 0.22 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.051 0.929 . . . . 0.0 110.564 173.819 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.522 ' HG2' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER 61.61 18.28 9.38 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.076 -1.015 . . . . 0.0 111.113 -171.819 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.24 20.55 0.24 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 173.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.53 85.34 2.05 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.71 1.243 . . . . 0.0 110.258 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -143.91 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 122.363 1.078 . . . . 0.0 110.076 -173.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -96.98 31.9 2.27 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.835 1.303 . . . . 0.0 110.194 171.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 31' ' ' VAL . 61.9 t -116.7 20.46 6.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 122.329 1.062 . . . . 0.0 110.782 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.53 10.56 4.05 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.448 -172.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.53 11.59 17.12 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.311 -0.868 . . . . 0.0 111.715 172.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -103.68 47.7 0.87 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.405 1.098 . . . . 0.0 110.201 173.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.823 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -174.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.302 0 CA-C-O 122.085 0.825 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.521 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.0 m120 -73.55 -125.39 0.0 OUTLIER 'General case' 0 C--O 1.247 0.962 0 O-C-N 121.802 -0.822 . . . . 0.0 110.798 -175.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER 79.4 126.04 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.003 -1.061 . . . . 0.0 112.036 174.467 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 41.62 37.09 0.65 Allowed 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 124.07 0.948 . . . . 0.0 113.212 174.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.71 -54.64 2.04 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 121.806 -0.559 . . . . 0.0 111.269 -174.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 12.2 51.83 0.0 OUTLIER 'General case' 0 C--O 1.246 0.902 0 C-N-CA 127.053 2.141 . . . . 0.0 114.949 -172.284 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 13.3 t -155.3 88.27 1.15 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.259 1.028 . . . . 0.0 112.147 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.8 ttt -162.08 -75.24 0.05 OUTLIER 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.92 173.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -60.1 -53.02 62.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.831 0.825 . . . . 0.0 110.959 -177.233 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 3.1 mm-40 -69.81 -11.38 60.82 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 91.96 -36.23 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 126.15 1.78 . . . . 0.0 108.809 -172.305 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 177.45 37.76 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.087 0.946 . . . . 0.0 110.589 170.379 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 41.58 100.54 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 123.848 1.785 . . . . 0.0 113.929 176.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 32' ' ' PHE . 81.0 t80 74.28 139.79 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 120.686 -1.259 . . . . 0.0 110.633 174.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -44.92 122.4 3.24 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.363 1.065 . . . . 0.0 113.869 -171.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 35.99 40.54 0.1 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.965 1.364 . . . . 0.0 111.169 176.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.15 90.48 1.57 Allowed 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 122.826 1.298 . . . . 0.0 111.53 -171.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.557 ' HB3' HG23 ' A' ' 31' ' ' VAL . 8.3 ttt-85 -84.54 21.86 1.41 Allowed 'General case' 0 C--O 1.249 1.034 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -175.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 57.21 23.88 9.2 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.703 1.24 . . . . 0.0 110.0 -169.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.557 HG23 ' HB3' ' A' ' 29' ' ' ARG . 65.1 t -109.99 18.07 7.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 122.176 0.989 . . . . 0.0 110.97 -178.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -135.98 7.92 3.21 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -171.117 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.5 ' HG2' ' CD1' ' A' ' 32' ' ' PHE . 4.3 mm-40 -137.89 31.39 2.48 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.985 1.374 . . . . 0.0 109.595 172.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 164.2 55.97 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 123.669 1.699 . . . . 0.0 109.631 -172.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.972 0 CA-C-N 114.771 -1.104 . . . . 0.0 113.474 -170.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.4 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -80.41 -117.14 0.02 OUTLIER 'General case' 0 C--O 1.247 0.937 0 O-C-N 122.19 -0.594 . . . . 0.0 110.283 -177.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.3 mt 56.85 -93.14 0.04 OUTLIER 'General case' 0 C--O 1.248 0.975 0 O-C-N 121.586 -0.696 . . . . 0.0 111.76 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 pm0 -126.4 45.4 2.67 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 121.093 -1.005 . . . . 0.0 110.859 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -150.55 63.58 0.94 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.167 0.984 . . . . 0.0 110.755 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -68.3 -148.56 0.01 OUTLIER 'General case' 0 C--O 1.247 0.949 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.297 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 m -80.02 140.7 36.44 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.09 0.948 . . . . 0.0 110.444 -174.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mmm -62.98 -75.7 0.07 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.589 1.185 . . . . 0.0 111.22 -173.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.19 -168.84 0.01 OUTLIER 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.596 1.189 . . . . 0.0 110.003 175.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -70.49 11.02 0.39 Allowed 'General case' 0 C--O 1.251 1.174 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -44.01 64.15 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.194 0.997 . . . . 0.0 110.799 174.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.2 m -136.18 108.21 7.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.656 0.741 . . . . 0.0 110.831 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.0 p -144.34 105.93 4.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.961 0.886 . . . . 0.0 111.449 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -155.05 -42.59 0.08 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.389 0.614 . . . . 0.0 112.474 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.443 ' C ' ' HG2' ' A' ' 27' ' ' GLU . 3.3 pm0 -30.9 98.95 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 124.72 1.208 . . . . 0.0 113.812 -174.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HG2' ' C ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 33.33 67.76 0.18 Allowed 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 124.935 1.294 . . . . 0.0 113.196 178.005 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.47 99.77 3.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.587 0.708 . . . . 0.0 110.501 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -74.0 -31.89 63.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.761 0.791 . . . . 0.0 111.245 -174.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -91.31 22.87 3.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.499 0.666 . . . . 0.0 112.598 174.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.2 t -148.76 22.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 122.003 0.906 . . . . 0.0 111.079 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.18 -41.22 10.57 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.833 0.825 . . . . 0.0 111.81 -173.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -116.43 37.32 3.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.386 0.612 . . . . 0.0 111.727 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -148.23 -31.85 0.27 Allowed 'General case' 0 C--O 1.252 1.19 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.317 -0.822 0 O-C-N 121.029 -1.044 . . . . 0.0 111.572 -173.222 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.28 0 CA-C-O 122.256 0.92 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -129.3 62.69 1.51 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.064 0.935 . . . . 0.0 110.972 174.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.0 mt -92.0 -126.08 0.09 Allowed 'General case' 0 C--O 1.25 1.111 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.212 176.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' ARG . 3.9 mt-10 -93.78 41.62 1.09 Allowed 'General case' 0 C--N 1.317 -0.831 0 O-C-N 120.993 -1.067 . . . . 0.0 112.452 177.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER 26.33 59.6 0.07 Allowed 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 126.37 1.868 . . . . 0.0 110.953 171.086 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.409 ' HG2' ' H ' ' A' ' 17' ' ' GLU . 0.8 OUTLIER -42.15 164.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 123.486 1.612 . . . . 0.0 112.93 174.755 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -86.86 20.05 2.75 Favored 'General case' 0 C--O 1.245 0.846 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -173.655 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.523 ' CB ' ' O ' ' A' ' 18' ' ' CYS . 32.9 ttm 105.74 97.22 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 126.281 1.832 . . . . 0.0 107.327 -168.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.63 -50.13 4.13 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -173.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -35.05 72.12 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.716 0.77 . . . . 0.0 111.059 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -87.15 9.11 21.01 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 176.192 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.63 -77.38 0.53 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.348 1.071 . . . . 0.0 109.453 175.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.4 -170.63 0.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.942 173.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER 67.41 -88.07 0.03 OUTLIER 'General case' 0 C--O 1.243 0.735 0 C-N-CA 123.801 0.84 . . . . 0.0 112.402 173.084 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 3.3 mm-40 -28.24 122.65 0.11 Allowed 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 125.435 1.494 . . . . 0.0 114.175 -173.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 51.5 39.99 25.88 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.732 -0.605 . . . . 0.0 111.962 174.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.825 ' HB1' HG12 ' A' ' 31' ' ' VAL . . . -54.89 115.49 2.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.489 0.661 . . . . 0.0 110.074 174.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.41 ' H ' ' HG2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -79.96 -78.69 0.16 Allowed 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.493 0.663 . . . . 0.0 110.796 175.31 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.09 26.0 3.93 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.827 0.822 . . . . 0.0 112.254 -174.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.825 HG12 ' HB1' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -126.82 11.11 3.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 122.786 1.279 . . . . 0.0 111.583 173.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.21 -20.65 14.06 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.381 -0.824 . . . . 0.0 112.535 -173.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.41 15.92 2.8 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -106.75 -10.18 16.18 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.405 -0.809 . . . . 0.0 112.268 173.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.318 -0.763 0 CA-C-O 121.767 0.794 . . . . 0.0 111.494 175.175 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.276 0 CA-C-O 122.063 0.813 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 49.54 26.37 1.7 Allowed 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.926 -0.749 . . . . 0.0 111.236 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt 45.06 56.51 5.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.084 0.945 . . . . 0.0 111.808 -175.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.422 ' HA ' ' NH2' ' A' ' 16' ' ' ARG . 10.7 mt-10 45.58 69.39 0.46 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 124.659 2.171 . . . . 0.0 110.736 -178.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.422 ' NH2' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -50.61 -14.79 0.21 Allowed 'General case' 0 C--O 1.25 1.096 0 CA-C-N 114.069 -1.423 . . . . 0.0 113.418 173.154 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.43 -164.44 0.06 Allowed 'General case' 0 C--N 1.318 -0.778 0 O-C-N 121.009 -1.057 . . . . 0.0 110.675 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 82.2 m -85.71 140.74 30.26 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.159 0.98 . . . . 0.0 111.248 -174.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mtm -62.67 -74.48 0.09 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.539 1.161 . . . . 0.0 110.743 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -167.87 0.01 OUTLIER 'General case' 0 C--O 1.241 0.645 0 CA-C-O 122.564 1.173 . . . . 0.0 109.809 174.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -71.11 3.97 3.08 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 114.498 1.295 . . . . 0.0 114.498 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -54.94 -28.61 52.44 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 121.201 -0.937 . . . . 0.0 111.329 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 46.1 m -133.14 -43.8 0.86 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.727 0.775 . . . . 0.0 111.263 174.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 p -142.84 135.04 27.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.646 0.736 . . . . 0.0 111.076 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -96.94 -81.06 0.43 Allowed 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.949 0.881 . . . . 0.0 110.624 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -130.31 -47.31 1.09 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 123.529 1.633 . . . . 0.0 109.331 173.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -143.88 47.44 1.44 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.533 1.159 . . . . 0.0 109.55 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.91 10.18 1.26 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -84.13 -75.02 0.36 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 122.848 1.308 . . . . 0.0 110.739 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.37 22.87 4.24 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.66 -174.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.817 HG13 HG23 ' A' ' 35' ' ' THR . 48.6 t -127.9 24.39 2.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 122.757 1.265 . . . . 0.0 110.451 173.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.11 90.46 2.75 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.309 1.052 . . . . 0.0 110.193 -173.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 64.78 32.34 11.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.695 0.759 . . . . 0.0 111.012 -172.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -177.3 46.89 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 123.024 1.393 . . . . 0.0 110.464 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.817 HG23 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.7 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -172.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.5 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.75 -173.59 2.33 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.069 -0.665 . . . . 0.0 110.961 176.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.634 HD13 ' OE2' ' A' ' 17' ' ' GLU . 0.1 OUTLIER 53.71 -146.13 0.56 Allowed 'General case' 0 C--O 1.256 1.437 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -172.615 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -70.65 -47.71 58.61 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 171.162 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER 128.82 27.45 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 127.835 2.454 . . . . 0.0 113.659 173.674 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.634 ' OE2' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER 37.51 -155.32 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.298 1.047 . . . . 0.0 111.683 -172.421 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.95 158.83 16.73 Favored 'General case' 0 C--O 1.244 0.802 0 O-C-N 121.53 -0.731 . . . . 0.0 109.833 171.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -88.93 0.09 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.976 0.893 . . . . 0.0 110.086 -174.125 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -174.63 0.06 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.459 1.123 . . . . 0.0 110.464 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -72.73 -1.63 17.18 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -51.9 -42.92 63.1 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.474 -0.766 . . . . 0.0 112.48 -172.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.81 -75.82 0.55 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.801 0.81 . . . . 0.0 112.316 -173.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.28 -174.02 0.16 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.696 0.76 . . . . 0.0 110.569 -173.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.471 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -179.22 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -174.242 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 25.1 mm-40 -23.99 -74.91 0.02 OUTLIER 'General case' 0 C--O 1.246 0.879 0 C-N-CA 125.872 1.669 . . . . 0.0 115.116 -171.367 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.646 ' O ' HG12 ' A' ' 31' ' ' VAL . 60.6 mm-40 -122.21 26.77 8.31 Favored 'General case' 0 C--O 1.248 0.99 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -171.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.95 4.11 8.89 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 173.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HG2' ' HG2' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -82.41 100.1 9.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 123.445 1.593 . . . . 0.0 110.219 -173.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HG2' ' HG2' ' A' ' 29' ' ' ARG . 1.6 mm-40 59.81 20.45 9.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 122.107 0.956 . . . . 0.0 112.532 174.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -131.73 7.89 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.431 1.11 . . . . 0.0 111.209 171.027 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -100.27 47.07 0.94 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 124.539 2.114 . . . . 0.0 109.107 -174.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 55.11 7.61 0.2 Allowed 'General case' 0 C--O 1.252 1.204 0 CA-C-N 114.038 -1.437 . . . . 0.0 113.793 -174.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 36.23 59.04 0.97 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 123.894 1.807 . . . . 0.0 108.484 -171.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.368 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -168.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.327 0 CA-C-O 122.38 0.989 . . . . 0.0 113.813 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.82 1.86 32.06 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 121.827 -0.808 . . . . 0.0 112.774 173.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -149.38 29.37 0.78 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 122.057 0.932 . . . . 0.0 111.9 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -126.27 26.56 6.41 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.748 1.261 . . . . 0.0 110.242 171.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.93 16.27 4.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.051 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -63.42 -118.8 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.472 -0.767 . . . . 0.0 109.12 171.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 23' ' ' CYS . 18.1 m -76.95 139.42 40.14 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 171.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.3 mtt -71.18 -88.94 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 122.518 1.152 . . . . 0.0 110.274 -170.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -60.38 170.42 1.35 Allowed 'General case' 0 C--O 1.245 0.85 0 CA-C-O 123.032 1.396 . . . . 0.0 109.198 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -74.45 14.91 0.4 Allowed 'General case' 0 C--O 1.25 1.096 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -85.44 -57.49 3.05 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.024 0.916 . . . . 0.0 111.599 -172.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -61.77 -67.45 0.41 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.618 0.723 . . . . 0.0 110.269 -176.075 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.3 p 47.82 78.05 0.08 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.488 0.661 . . . . 0.0 110.905 174.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -122.69 19.58 10.28 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -171.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -23.6 43.63 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.669 -0.644 . . . . 0.0 112.268 -173.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -128.73 58.35 1.58 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 122.666 1.222 . . . . 0.0 110.022 173.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.56 -151.15 0.02 OUTLIER 'General case' 0 C--O 1.242 0.705 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.698 -171.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.533 ' HA ' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -66.38 6.81 0.38 Allowed 'General case' 0 C--O 1.25 1.092 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -171.726 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.64 13.97 11.06 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 119.066 0.848 . . . . 0.0 112.553 171.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 31' ' ' VAL . 53.7 t -150.11 17.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.583 0.706 . . . . 0.0 110.802 -174.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.533 ' CD1' ' HA ' ' A' ' 29' ' ' ARG . 2.5 m-85 -88.05 -15.95 34.91 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.11 31.13 1.77 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.704 0.764 . . . . 0.0 110.236 173.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 46.98 41.01 10.29 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 123.892 1.806 . . . . 0.0 109.462 -172.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.852 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.564 -172.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.289 0 CA-C-O 121.964 0.758 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.29 -42.74 1.82 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.861 0.839 . . . . 0.0 111.232 174.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.4 10.38 2.08 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -174.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.03 27.04 9.39 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.325 -0.859 . . . . 0.0 111.514 174.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.11 19.14 6.5 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 121.908 -0.495 . . . . 0.0 112.273 -174.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 49.69 -147.99 0.3 Allowed 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.259 0.552 . . . . 0.0 110.378 -174.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.71 164.19 22.98 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.506 -0.746 . . . . 0.0 110.317 173.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.74 -85.23 0.09 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.104 0.954 . . . . 0.0 110.293 -174.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -175.74 0.05 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.592 1.187 . . . . 0.0 110.325 175.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -73.75 8.49 1.9 Allowed 'General case' 0 C--O 1.249 1.055 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -72.89 -39.32 66.49 Favored 'General case' 0 C--N 1.316 -0.864 0 O-C-N 121.069 -1.019 . . . . 0.0 111.201 -172.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.07 27.49 3.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.415 0.626 . . . . 0.0 112.124 176.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.1 p -110.43 62.16 0.6 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.998 0.904 . . . . 0.0 110.203 174.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.604 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 1.9 p90 -88.01 -86.27 0.17 Allowed 'General case' 0 C--O 1.253 1.242 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.227 -172.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.604 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 18.6 mm-40 36.29 50.16 0.72 Allowed 'General case' 0 C--N 1.315 -0.925 0 O-C-N 119.055 -2.278 . . . . 0.0 112.278 -165.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HG2' ' C ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER 66.45 7.89 5.34 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 172.893 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' ' 32' ' ' PHE . . . -77.58 81.02 4.05 Favored 'General case' 0 C--O 1.246 0.903 0 C-N-CA 124.28 1.032 . . . . 0.0 110.851 173.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -62.91 -84.78 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.01 0.91 . . . . 0.0 110.83 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -147.83 34.18 0.84 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.198 1.475 . . . . 0.0 109.679 173.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.785 HG12 HG23 ' A' ' 35' ' ' THR . 2.2 t -140.37 22.69 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.929 -173.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.411 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 14.7 t80 -126.2 50.43 1.89 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 122.59 1.186 . . . . 0.0 111.305 -170.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -175.53 -35.99 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.273 1.035 . . . . 0.0 111.046 174.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -129.58 64.85 1.49 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.886 0.85 . . . . 0.0 110.875 175.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.785 HG23 HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.033 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -173.102 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.365 0 CA-C-O 122.255 0.92 . . . . 0.0 113.318 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -148.58 109.87 4.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.69 0.757 . . . . 0.0 110.822 -175.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.8 mt -106.2 -53.78 2.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.247 1.023 . . . . 0.0 111.137 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.12 30.08 1.72 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.514 0.673 . . . . 0.0 112.389 -174.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -115.32 -24.78 8.28 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.629 -0.669 . . . . 0.0 111.76 175.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -161.88 0.9 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.994 0.902 . . . . 0.0 110.635 174.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 30.1 m -83.53 136.47 34.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.837 0.827 . . . . 0.0 110.574 173.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -80.55 0.08 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.218 1.008 . . . . 0.0 110.939 -175.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -59.58 -172.5 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.521 1.153 . . . . 0.0 110.184 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -72.69 14.38 0.27 Allowed 'General case' 0 C--O 1.251 1.151 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -46.45 68.51 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.193 -0.942 . . . . 0.0 111.229 -178.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 3.1 m -121.45 -23.32 5.68 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -175.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.424 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 79.8 p -49.74 107.38 0.15 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.556 0.693 . . . . 0.0 111.385 -174.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.461 ' CD2' ' HG2' ' A' ' 26' ' ' GLU . 5.4 p90 45.8 -161.22 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 123.743 0.817 . . . . 0.0 111.429 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.461 ' HG2' ' CD2' ' A' ' 25' ' ' PHE . 2.8 mm-40 67.04 120.86 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.135 0.969 . . . . 0.0 110.394 -173.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 50.28 68.45 0.76 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.591 1.186 . . . . 0.0 110.26 -173.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.45 177.67 0.18 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 127.106 3.336 . . . . 0.0 115.331 -173.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.538 ' C ' ' H ' ' A' ' 31' ' ' VAL . 29.5 mtm180 -82.39 112.15 19.09 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 109.07 -3.696 . . . . 0.0 111.807 -169.274 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -83.98 36.99 0.58 Allowed 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 128.218 3.866 . . . . 0.0 102.834 147.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.538 ' H ' ' C ' ' A' ' 29' ' ' ARG . 53.6 t -147.5 12.92 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 129.378 3.071 . . . . 0.0 112.125 -158.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 28.8 m-85 -89.4 14.89 10.17 Favored 'General case' 0 C--O 1.243 0.719 0 O-C-N 120.83 -1.169 . . . . 0.0 112.418 -169.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.432 ' H ' ' HG2' ' A' ' 33' ' ' GLU . 0.5 OUTLIER -120.89 -47.48 2.29 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.796 1.284 . . . . 0.0 110.296 177.313 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -112.43 77.81 1.08 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.185 0.993 . . . . 0.0 110.003 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.245 0.848 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -171.939 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.39 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -172.27 52.24 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.627 0.727 . . . . 0.0 111.86 174.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.52 -2.85 0.74 Allowed 'General case' 0 C--O 1.249 1.038 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 174.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.15 57.49 0.78 Allowed 'General case' 0 C--N 1.317 -0.837 0 O-C-N 120.955 -1.091 . . . . 0.0 112.015 -174.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.7 64.59 0.99 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.882 0.849 . . . . 0.0 112.29 -173.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -69.78 -1.71 10.04 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 174.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.38 150.35 25.11 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.554 173.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmm -74.84 -83.53 0.06 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.185 0.993 . . . . 0.0 110.119 -174.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HG2' ' HB2' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -61.55 -172.12 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.51 1.148 . . . . 0.0 110.35 175.137 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.88 2.49 6.71 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 175.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.453 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -48.54 -55.51 10.87 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 121.332 -0.855 . . . . 0.0 112.599 -172.16 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -95.89 -78.4 0.46 Allowed 'General case' 0 C--O 1.242 0.662 0 O-C-N 121.908 -0.495 . . . . 0.0 109.927 -176.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 66.3 144.51 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 123.483 1.611 . . . . 0.0 112.999 174.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 170.68 161.02 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.095 173.37 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.483 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER 174.2 -69.21 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.299 1.047 . . . . 0.0 111.043 174.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -136.27 44.43 2.42 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.774 0.797 . . . . 0.0 111.109 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.96 86.11 1.78 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.822 0.82 . . . . 0.0 111.556 175.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -79.82 -132.07 0.02 OUTLIER 'General case' 0 C--O 1.249 1.051 0 O-C-N 121.732 -0.605 . . . . 0.0 110.547 -175.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -91.88 21.58 4.79 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.005 -1.059 . . . . 0.0 112.703 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 t -107.57 26.21 2.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 122.3 1.048 . . . . 0.0 110.267 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -119.1 -23.95 6.65 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -171.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -88.35 -44.59 10.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.032 0.92 . . . . 0.0 111.87 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.83 68.84 1.49 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.127 0.965 . . . . 0.0 110.27 -174.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.25 1.094 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -171.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.9 t80 . . . . . 0 CA--C 1.511 -0.529 0 CA-C-O 121.965 0.888 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.08 82.01 0.12 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.186 0.993 . . . . 0.0 111.493 174.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.54 ' CB ' ' HA ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -135.54 52.6 2.0 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.359 1.076 . . . . 0.0 109.725 172.76 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.6 90.98 0.01 OUTLIER Glycine 0 N--CA 1.473 1.153 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 172.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.51 103.58 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 103.493 -2.78 . . . . 0.0 103.493 -165.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.54 ' HA ' ' CB ' ' A' ' 3' ' ' SER . 1.7 mp -54.41 99.71 0.03 OUTLIER 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 125.959 2.79 . . . . 0.0 111.601 -158.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.535 ' C ' ' C ' ' A' ' 48' ' ' FMT . 2.5 pt-20 -77.5 -28.49 52.18 Favored 'General case' 0 C--O 1.243 0.728 0 O-C-N 120.101 -1.624 . . . . 0.0 110.617 -170.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -98.02 62.58 1.57 Allowed 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 169.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -79.9 -159.0 0.19 Allowed 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 117.776 2.51 . . . . 0.0 117.776 -162.647 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.11 122.54 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-O 124.618 2.151 . . . . 0.0 106.941 -170.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -81.5 100.62 9.43 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 113.164 -1.834 . . . . 0.0 113.648 -163.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.13 -55.08 0.18 Allowed Glycine 0 N--CA 1.466 0.646 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 173.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 49.26 94.67 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.653 1.216 . . . . 0.0 113.373 173.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 6.5 mt -91.78 15.38 12.99 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.509 172.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 37.81 41.96 0.38 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 123.588 1.661 . . . . 0.0 109.408 -173.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 1.2 tpp180 -117.88 52.46 1.0 Allowed 'General case' 0 C--O 1.243 0.75 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -167.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.56 ' HG2' ' HD2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -91.43 -152.38 0.29 Allowed 'General case' 0 C--O 1.246 0.915 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 169.138 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.499 ' HB2' ' CA ' ' A' ' 22' ' ' LYS . 5.3 m -80.52 160.8 25.1 Favored 'General case' 0 C--O 1.258 1.502 0 O-C-N 121.442 -0.786 . . . . 0.0 109.415 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.5 ttm -65.89 -77.64 0.06 Allowed 'General case' 0 C--N 1.32 -0.707 0 O-C-N 119.935 -1.728 . . . . 0.0 110.517 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.53 -88.95 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.259 1.028 . . . . 0.0 111.586 -174.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.81 -3.68 20.19 Favored 'General case' 0 C--O 1.251 1.177 0 O-C-N 120.849 -1.157 . . . . 0.0 113.348 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.56 ' HD2' ' HG2' ' A' ' 17' ' ' GLU . 4.1 mmtm 48.82 23.21 0.64 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 122.11 0.957 . . . . 0.0 110.865 -173.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 58.3 m 49.81 75.77 0.16 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -167.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.9 p -74.12 14.01 0.48 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 -166.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 71.7 t80 94.78 76.58 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 127.087 2.155 . . . . 0.0 112.437 173.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 42.92 87.59 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.415 1.086 . . . . 0.0 113.69 172.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 51.11 25.13 2.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.36 0.6 . . . . 0.0 112.3 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -77.1 82.04 3.61 Favored 'General case' 0 C--O 1.252 1.21 0 C-N-CA 124.439 1.096 . . . . 0.0 111.496 173.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 10.9 tpt180 -58.61 -36.77 74.55 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 125.861 2.743 . . . . 0.0 106.47 167.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' HB1' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -143.73 -138.26 0.1 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 112.996 -1.911 . . . . 0.0 107.607 167.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.269 12.2 p -128.42 64.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 CA-C-O 128.461 3.982 . . . . 0.0 105.516 171.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.11 -89.68 0.08 Allowed 'General case' 0 C--O 1.251 1.143 0 CA-C-N 110.541 -3.027 . . . . 0.0 111.603 -170.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 46.1 mm-40 -77.07 92.67 3.77 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 120.968 -1.082 . . . . 0.0 110.992 -172.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER 160.42 -23.2 0.0 OUTLIER 'General case' 0 C--O 1.243 0.76 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -25.97 68.48 Favored 'General case' 0 C--O 1.251 1.149 0 O-C-N 121.401 -0.812 . . . . 0.0 113.161 -171.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.62 6.86 9.53 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -174.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.91 -63.61 1.3 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.341 1.067 . . . . 0.0 112.136 175.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.418 HG22 ' CD1' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -66.74 -160.94 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.7 -1.136 . . . . 0.0 111.713 -168.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.522 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 85.9 m 54.29 -77.75 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 126.355 1.862 . . . . 0.0 113.889 -169.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.03 -63.65 1.08 Allowed 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.04 -55.95 8.9 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.954 1.359 . . . . 0.0 112.269 -171.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.522 ' NE1' ' HA ' ' A' ' 39' ' ' THR . 41.4 p-90 -76.47 -12.84 60.11 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.013 -0.994 . . . . 0.0 113.492 -172.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HD2' ' CZ2' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -73.42 17.7 0.14 Allowed 'General case' 0 C--O 1.241 0.638 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 176.775 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.39 9.88 4.4 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 122.746 1.26 . . . . 0.0 112.181 169.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -150.19 29.52 0.72 Allowed 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 124.351 1.06 . . . . 0.0 109.7 176.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.58 130.88 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 122.842 1.306 . . . . 0.0 110.807 -170.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.178 0 CA-C-O 122.04 0.924 . . . . 0.0 110.999 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' FMT . . . . . 0.535 ' C ' ' C ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.5 p90 . . . . . 0 CA--C 1.511 -0.535 0 CA-C-O 121.91 0.862 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 47.17 68.99 0.55 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.407 1.099 . . . . 0.0 111.186 -176.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.469 ' HB2' ' CD2' ' A' ' 6' ' ' LEU . 16.9 p 58.82 45.45 15.43 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.817 173.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.96 79.54 1.0 Allowed Glycine 0 N--CA 1.482 1.702 0 N-CA-C 104.129 -3.588 . . . . 0.0 104.129 166.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp 68.17 147.16 0.05 Allowed 'General case' 0 C--O 1.247 0.932 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 -162.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.105 HD22 ' CE1' ' A' ' 9' ' ' PHE . 6.0 mt -80.27 55.36 2.2 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 124.561 2.124 . . . . 0.0 108.516 169.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.539 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 0.7 OUTLIER -80.19 -17.32 52.69 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 125.911 1.684 . . . . 0.0 110.022 -167.531 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.539 ' HG2' ' HG2' ' A' ' 7' ' ' GLU . 3.9 pt-20 -168.52 77.23 0.13 Allowed 'General case' 0 N--CA 1.469 0.509 0 O-C-N 120.111 -1.618 . . . . 0.0 109.413 173.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 1.105 ' CE1' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -60.99 -170.86 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -163.329 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -39.04 129.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-O 125.579 2.609 . . . . 0.0 110.119 -160.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -88.95 -38.31 14.57 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 112.716 -2.038 . . . . 0.0 111.143 -169.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.31 51.81 0.02 OUTLIER Glycine 0 N--CA 1.465 0.595 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -174.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.722 ' O ' HD23 ' A' ' 14' ' ' LEU . 1.6 t-20 -91.73 81.92 5.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.27 1.033 . . . . 0.0 112.439 -173.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.722 HD23 ' O ' ' A' ' 13' ' ' ASN . 2.6 mt -141.93 -46.74 0.35 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.6 1.191 . . . . 0.0 110.41 173.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.67 30.46 1.69 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.443 1.116 . . . . 0.0 110.558 173.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.77 72.23 0.9 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.522 1.153 . . . . 0.0 111.078 -173.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.27 -6.38 13.69 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 122.758 1.266 . . . . 0.0 113.933 173.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.36 -179.77 8.48 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.884 173.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.9 mmt -85.23 -92.79 0.08 Allowed 'General case' 0 C--N 1.317 -0.813 0 O-C-N 120.645 -1.285 . . . . 0.0 109.644 173.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mp0 -61.41 177.24 0.39 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.869 1.319 . . . . 0.0 110.047 -176.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.44 13.87 0.54 Allowed 'General case' 0 C--O 1.249 1.037 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -50.2 15.67 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 121.182 -0.949 . . . . 0.0 110.721 -172.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.1 m -68.88 -70.95 0.24 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.71 0.767 . . . . 0.0 111.1 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.8 m 46.61 33.39 2.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 123.148 1.451 . . . . 0.0 109.502 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -86.0 165.01 17.04 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 123.383 1.563 . . . . 0.0 113.353 -171.148 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 7.3 mm-40 -134.05 -50.2 0.82 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.44 1.114 . . . . 0.0 109.957 173.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.545 ' HA ' ' CE2' ' A' ' 25' ' ' PHE . 18.9 mm-40 -148.07 13.32 0.99 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.877 172.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.4 101.64 4.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.202 1.001 . . . . 0.0 111.239 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.872 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.4 tpt180 -83.92 31.57 0.49 Allowed 'General case' 0 C--O 1.246 0.914 0 O-C-N 121.587 -0.695 . . . . 0.0 112.794 173.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 48.26 34.81 4.8 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 123.472 1.606 . . . . 0.0 109.59 -171.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 29' ' ' ARG . 70.1 t -134.5 20.08 1.19 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.651 0 CA-C-O 122.523 1.154 . . . . 0.0 111.47 -173.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.58 6.6 10.54 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 121.271 -0.893 . . . . 0.0 112.832 -173.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.56 10.92 1.44 Allowed 'General case' 0 C--O 1.244 0.775 0 O-C-N 121.386 -0.821 . . . . 0.0 112.687 173.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -120.35 -16.96 8.33 Favored 'General case' 0 C--O 1.244 0.814 0 O-C-N 121.444 -0.785 . . . . 0.0 112.58 -175.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.17 -28.52 62.26 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 122.516 1.15 . . . . 0.0 110.903 174.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -83.94 25.63 0.79 Allowed 'General case' 0 C--O 1.243 0.757 0 O-C-N 121.163 -0.96 . . . . 0.0 112.974 174.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -44.45 96.7 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.466 -0.771 . . . . 0.0 111.348 -174.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.519 HG22 ' H ' ' A' ' 39' ' ' THR . 0.2 OUTLIER -58.15 -178.49 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.831 -173.652 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.576 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 1.3 m 81.83 -61.94 0.18 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 124.287 1.994 . . . . 0.0 111.839 -168.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -76.07 -38.55 56.93 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 113.683 -1.599 . . . . 0.0 113.777 -172.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -54.15 -49.45 69.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 123.017 1.389 . . . . 0.0 110.474 -173.547 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.576 ' NE1' ' HA ' ' A' ' 39' ' ' THR . 61.3 p-90 -81.07 -12.77 59.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.778 1.275 . . . . 0.0 112.119 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HD2' ' CZ3' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -71.95 18.8 0.08 Allowed 'General case' 0 C--O 1.24 0.567 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 173.576 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -107.63 17.43 22.64 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 122.328 1.061 . . . . 0.0 111.06 171.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -131.45 -34.17 1.4 Allowed 'General case' 0 C--O 1.247 0.968 0 O-C-N 120.992 -1.067 . . . . 0.0 113.034 -174.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.555 ' O ' ' OXT' ' A' ' 47' ' ' ASP . 32.9 m -60.06 99.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 122.015 0.912 . . . . 0.0 110.483 -176.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 1.225 ' OXT' ' CA ' ' A' ' 47' ' ' ASP . 1.5 p30 . . . . . 0 C--O 1.27 2.182 0 CA-C-O 122.011 0.91 . . . . 0.0 111.004 -174.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' FMT . . . . . 0.416 ' C ' ' HG2' ' A' ' 8' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.429 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.58 0 CA-C-O 121.769 0.795 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -178.69 -36.55 0.01 OUTLIER 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.365 0.603 . . . . 0.0 111.683 -176.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.522 ' HB3' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER 62.36 165.19 0.1 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.087 0.946 . . . . 0.0 110.523 -174.394 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.65 -69.26 0.22 Allowed Glycine 0 N--CA 1.464 0.547 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 173.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.67 -43.12 18.97 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 122.597 1.189 . . . . 0.0 110.088 172.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.553 HD23 ' CE2' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -81.41 39.35 0.52 Allowed 'General case' 0 C--O 1.252 1.226 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 174.267 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.455 ' HA ' ' HB2' ' A' ' 3' ' ' SER . 0.2 OUTLIER -60.28 107.32 0.64 Allowed 'General case' 0 C--N 1.319 -0.73 0 O-C-N 120.415 -1.428 . . . . 0.0 109.338 172.131 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 50.95 79.86 0.09 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.594 1.188 . . . . 0.0 108.303 -170.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.553 ' CE2' HD23 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -68.52 -155.56 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 113.85 1.055 . . . . 0.0 113.85 -169.195 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -54.03 129.54 15.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-O 125.171 2.415 . . . . 0.0 107.345 -166.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -84.94 -84.55 0.15 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 112.798 -2.001 . . . . 0.0 113.901 -163.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.58 -110.62 3.1 Favored Glycine 0 C--N 1.318 -0.422 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 -172.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -170.8 73.15 0.06 Allowed 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 122.097 0.951 . . . . 0.0 111.567 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mt -145.08 -47.56 0.23 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.793 0.806 . . . . 0.0 112.13 -174.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.01 41.42 1.1 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.331 1.062 . . . . 0.0 111.241 -174.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.39 57.07 1.02 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.794 1.283 . . . . 0.0 110.058 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' CB ' ' HB2' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -54.25 179.55 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 122.901 1.334 . . . . 0.0 111.748 177.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 p -100.23 -84.56 0.42 Allowed 'General case' 0 C--O 1.271 2.195 0 O-C-N 121.097 -1.002 . . . . 0.0 113.148 -171.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.97 -75.5 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.822 0 O-C-N 119.494 -2.004 . . . . 0.0 113.294 -171.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -57.21 -75.34 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.55 1.167 . . . . 0.0 110.828 -174.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 24' ' ' SER . 2.6 mm-40 -72.84 8.82 1.34 Allowed 'General case' 0 C--O 1.252 1.236 0 O-C-N 121.026 -1.046 . . . . 0.0 113.253 171.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt 47.63 32.32 2.45 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 123.326 1.536 . . . . 0.0 109.003 -172.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.461 ' HB2' ' CB ' ' A' ' 17' ' ' GLU . 1.6 m 49.96 86.5 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 123.218 1.485 . . . . 0.0 107.843 -169.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.443 ' HB3' ' HB3' ' A' ' 21' ' ' GLU . 28.6 p -77.95 15.08 0.95 Allowed 'General case' 0 C--O 1.248 1.004 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -168.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -138.99 160.31 40.06 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 122.926 1.346 . . . . 0.0 112.768 -174.84 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER 174.05 -68.91 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.774 1.273 . . . . 0.0 110.202 173.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.32 12.03 2.79 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.324 1.059 . . . . 0.0 110.953 169.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.12 -80.74 0.07 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 124.149 1.928 . . . . 0.0 112.258 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.6 mtp-105 -63.18 -15.97 58.62 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-N 112.772 -2.013 . . . . 0.0 113.753 -172.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -85.06 14.19 5.29 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' HG12 ' A' ' 31' ' ' VAL . 45.8 t -149.23 19.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.39 0.614 . . . . 0.0 112.135 173.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -105.43 45.11 0.98 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.259 1.028 . . . . 0.0 110.18 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 52.61 13.35 0.32 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.605 -173.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 t30 32.06 37.61 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 123.326 1.536 . . . . 0.0 112.418 -174.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 t -82.64 -56.29 3.95 Favored 'General case' 0 CA--C 1.511 -0.547 0 O-C-N 120.994 -1.066 . . . . 0.0 112.487 -174.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -82.26 24.94 0.63 Allowed 'General case' 0 C--O 1.253 1.244 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -170.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.551 ' CG ' ' N ' ' A' ' 38' ' ' THR . 1.2 ttp180 -80.78 -95.85 0.04 OUTLIER 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 121.752 0.787 . . . . 0.0 111.153 174.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.551 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -76.61 150.96 36.4 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.449 1.119 . . . . 0.0 111.516 -168.228 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.502 ' HA ' ' CE2' ' A' ' 42' ' ' TRP . 2.3 m 124.21 -30.7 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.029 0 C-N-CA 130.255 3.422 . . . . 0.0 109.263 169.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.83 -63.32 1.41 Allowed 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 125.22 2.438 . . . . 0.0 112.717 171.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.467 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -50.24 -67.65 0.24 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-O 124.812 2.244 . . . . 0.0 113.067 -172.105 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.502 ' CE2' ' HA ' ' A' ' 39' ' ' THR . 44.7 p-90 -71.43 -12.52 61.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.479 -1.692 . . . . 0.0 111.224 -167.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.59 19.4 0.14 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 120.047 -1.658 . . . . 0.0 115.257 171.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.62 14.34 8.13 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.814 0.816 . . . . 0.0 110.72 169.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -148.92 6.29 0.69 Allowed 'General case' 0 C--O 1.252 1.201 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -173.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.657 ' O ' HG22 ' A' ' 46' ' ' VAL . 6.9 p -72.9 13.1 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 119.22 0.918 . . . . 0.0 113.378 -172.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 . . . . . 0 C--O 1.271 2.204 0 O-C-N 120.767 -1.208 . . . . 0.0 110.973 173.682 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 13.8 t80 . . . . . 0 C--O 1.244 0.775 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.88 98.24 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 122.307 1.051 . . . . 0.0 112.976 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.64 146.77 24.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.742 0.782 . . . . 0.0 110.364 173.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.86 -102.63 2.59 Favored Glycine 0 C--N 1.319 -0.381 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 175.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -55.11 -38.62 68.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.413 0.625 . . . . 0.0 110.702 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.95 62.9 6.76 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 121.667 0.746 . . . . 0.0 110.67 171.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.89 -64.13 1.2 Allowed 'General case' 0 C--O 1.26 1.621 0 O-C-N 120.386 -1.446 . . . . 0.0 110.624 -171.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.6 -76.28 0.26 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 168.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.416 ' HB3' ' HG3' ' A' ' 11' ' ' GLN . 0.8 OUTLIER 178.21 140.01 0.09 Allowed 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 124.524 2.107 . . . . 0.0 112.897 159.418 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -29.43 -39.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 C-N-CA 126.128 1.771 . . . . 0.0 113.544 173.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.416 ' HG3' ' HB3' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -68.02 94.94 0.52 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.726 0.774 . . . . 0.0 110.528 -174.589 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.41 91.44 0.09 OUTLIER Glycine 0 C--O 1.239 0.419 0 CA-C-O 121.877 0.709 . . . . 0.0 112.159 178.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -163.52 75.08 0.36 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.858 0.837 . . . . 0.0 110.836 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.7 mt -109.35 -94.23 0.42 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.51 0.671 . . . . 0.0 112.062 -174.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.39 50.73 1.98 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.903 1.335 . . . . 0.0 110.279 -174.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.2 68.1 1.51 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.569 1.176 . . . . 0.0 109.064 -173.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.78 168.31 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 125.018 2.342 . . . . 0.0 114.605 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 m -80.12 142.52 34.73 Favored 'General case' 0 CA--C 1.513 -0.445 0 O-C-N 120.536 -1.353 . . . . 0.0 111.775 -171.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.5 mmm -59.1 -76.33 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.28 1.038 . . . . 0.0 111.17 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -60.53 -168.11 0.01 OUTLIER 'General case' 0 C--O 1.24 0.603 0 CA-C-O 122.838 1.304 . . . . 0.0 110.153 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -71.31 15.61 0.12 Allowed 'General case' 0 C--O 1.251 1.151 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 176.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -27.8 66.04 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.178 -0.951 . . . . 0.0 110.826 174.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.3 m -125.78 -77.03 0.58 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.594 0.711 . . . . 0.0 111.176 174.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -178.06 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.73 -0.606 . . . . 0.0 110.937 174.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.529 ' CE2' ' C ' ' A' ' 54' ' ' FMT . 0.0 OUTLIER 179.07 163.3 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.179 0.99 . . . . 0.0 113.452 174.258 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 2.2 mm-40 72.57 35.41 1.12 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.904 0.859 . . . . 0.0 109.629 -171.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 45.04 30.21 0.56 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.215 1.007 . . . . 0.0 110.086 -172.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.67 92.48 1.98 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 123.286 1.517 . . . . 0.0 114.778 -171.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' VAL . 8.0 mmm180 -75.91 120.58 21.46 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 104.502 -2.407 . . . . 0.0 104.502 162.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.86 75.81 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.876 0 O-C-N 125.622 1.826 . . . . 0.0 108.552 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.0 t -151.07 8.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.243 0.735 0 CA-C-N 115.055 -0.975 . . . . 0.0 113.608 -162.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.431 ' CG ' ' O ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -144.2 29.47 1.31 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 122.098 0.952 . . . . 0.0 113.406 -164.587 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -144.33 40.54 1.34 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.747 0.784 . . . . 0.0 111.495 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -128.18 -31.12 2.36 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.9 t -77.0 -32.44 57.17 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.625 1.202 . . . . 0.0 110.937 -174.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -84.65 28.45 0.67 Allowed 'General case' 0 C--O 1.242 0.704 0 O-C-N 121.074 -1.016 . . . . 0.0 112.472 174.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -50.69 71.61 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 121.667 -0.646 . . . . 0.0 111.993 -173.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.416 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.7 OUTLIER -59.26 133.44 56.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 122.347 1.07 . . . . 0.0 112.152 -170.155 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.511 ' N ' ' HE1' ' A' ' 42' ' ' TRP . 0.8 OUTLIER 150.05 -48.04 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 128.505 2.722 . . . . 0.0 108.297 172.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -78.62 -56.05 4.72 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 112.205 -2.27 . . . . 0.0 112.773 -174.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -54.17 15.49 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 123.238 1.494 . . . . 0.0 110.616 -174.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.511 ' HE1' ' N ' ' A' ' 39' ' ' THR . 70.3 p-90 -84.63 -11.71 55.42 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.734 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.25 -8.97 0.56 Allowed 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.151 -1.42 . . . . 0.0 110.429 171.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.443 ' N ' ' C ' ' A' ' 42' ' ' TRP 0.454 26.0 mt-30 -64.89 -101.41 0.0 OUTLIER 'General case' 0 C--O 1.253 1.248 0 N-CA-C 100.319 -3.956 . . . . 0.0 100.319 156.282 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.427 ' HB2' ' OXT' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -152.41 140.92 20.72 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 122.104 2.229 . . . . 0.0 114.858 166.805 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.46 6.45 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.652 0 O-C-N 121.086 -1.009 . . . . 0.0 113.189 168.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' OXT' ' HB2' ' A' ' 45' ' ' TYR . 22.8 t0 . . . . . 0 C--O 1.27 2.18 0 CA-C-O 122.108 0.956 . . . . 0.0 111.201 -172.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 54' ' ' FMT . . . . . 0.529 ' C ' ' CE2' ' A' ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.404 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 50.5 t80 . . . . . 0 C--O 1.244 0.794 0 CA-C-O 121.059 0.457 . . . . 0.0 111.573 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -44.2 -26.34 0.3 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.706 0.765 . . . . 0.0 110.823 173.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.431 ' OG ' HD12 ' A' ' 6' ' ' LEU . 4.0 m -160.52 -99.12 0.02 OUTLIER 'General case' 0 C--O 1.242 0.71 0 O-C-N 121.936 -0.478 . . . . 0.0 110.665 172.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 5' ' ' LYS . . . 66.38 139.11 0.04 OUTLIER Glycine 0 C--N 1.32 -0.358 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 -172.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 4' ' ' GLY . 0.0 OUTLIER 80.82 -16.44 0.65 Allowed 'General case' 0 C--O 1.248 1.007 0 C-N-CA 124.441 1.096 . . . . 0.0 111.3 -176.095 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -83.27 51.4 1.96 Allowed 'General case' 0 C--N 1.316 -0.866 0 O-C-N 120.899 -1.126 . . . . 0.0 109.767 168.742 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.494 ' C ' ' C ' ' A' ' 48' ' ' FMT . 1.8 pt-20 -67.26 -27.99 67.66 Favored 'General case' 0 C--O 1.272 2.277 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -163.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -58.39 -59.29 5.58 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 168.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.549 ' CD2' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER 91.66 146.62 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.932 1 N-CA-C 122.494 4.257 . . . . 0.0 122.494 156.683 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -27.14 -57.25 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.679 0 C-N-CA 129.557 3.143 . . . . 0.0 112.382 165.068 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.52 ' N ' HG12 ' A' ' 10' ' ' VAL . 1.4 pt20 -65.8 138.79 58.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.35 1.072 . . . . 0.0 111.616 -173.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.55 128.86 6.44 Favored Glycine 0 N--CA 1.462 0.384 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -177.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 168.45 -26.51 0.0 OUTLIER 'General case' 0 C--O 1.244 0.792 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -142.65 34.19 1.43 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 122.268 1.032 . . . . 0.0 111.867 -174.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.93 14.24 31.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.47 0.652 . . . . 0.0 111.927 173.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 16' ' ' ARG . 11.1 tpp85 -117.23 24.8 10.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.743 0.783 . . . . 0.0 111.624 -174.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 45.22 80.2 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.731 0.777 . . . . 0.0 111.846 -174.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 1.2 m -151.04 94.32 2.04 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.917 0.865 . . . . 0.0 110.79 174.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.42 -61.57 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.012 0.91 . . . . 0.0 111.162 175.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -54.28 -70.51 0.1 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.464 1.126 . . . . 0.0 111.297 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 15.7 mm-40 -71.98 5.41 2.68 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 91.56 -35.38 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 125.929 1.692 . . . . 0.0 108.779 -171.604 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 179.45 66.14 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.184 171.018 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 p -41.01 107.51 0.07 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.02 0.914 . . . . 0.0 111.576 -172.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 15.3 p90 -131.12 -61.49 0.92 Allowed 'General case' 0 C--O 1.242 0.707 0 CA-C-O 122.296 1.046 . . . . 0.0 111.907 -173.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.611 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 7.7 mm-40 28.19 73.97 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 125.939 1.696 . . . . 0.0 113.308 -169.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 38.75 31.02 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 125.149 1.38 . . . . 0.0 114.136 174.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.94 88.55 3.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.053 0.93 . . . . 0.0 112.207 -174.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.632 ' HB3' HG23 ' A' ' 31' ' ' VAL . 4.4 ttp180 -81.53 -144.52 0.05 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 122.477 1.132 . . . . 0.0 109.429 173.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -97.02 31.84 2.3 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.526 1.631 . . . . 0.0 109.245 168.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 29' ' ' ARG . 12.2 t -123.43 21.34 4.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.896 -173.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -135.75 11.75 3.41 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -173.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -148.34 -44.74 0.15 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 122.381 1.086 . . . . 0.0 110.485 174.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -117.6 54.46 0.89 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.956 1.36 . . . . 0.0 110.295 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.565 HG23 ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -82.91 -64.57 1.14 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.879 1.323 . . . . 0.0 111.724 174.626 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.22 29.46 0.66 Allowed 'General case' 0 C--O 1.244 0.809 0 O-C-N 121.282 -0.886 . . . . 0.0 112.801 -175.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -100.92 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.39 0.614 . . . . 0.0 112.15 -174.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.776 HG22 ' CD1' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -67.94 -165.44 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 O-C-N 121.608 -0.682 . . . . 0.0 112.123 -168.34 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.55 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 95.2 m 59.45 -77.08 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 123.858 1.789 . . . . 0.0 113.969 -170.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 124.496 2.093 . . . . 0.0 113.494 173.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -47.52 -62.27 1.52 Allowed 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 113.217 -1.81 . . . . 0.0 113.608 -169.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.776 ' CD1' HG22 ' A' ' 38' ' ' THR . 21.3 p-90 -62.21 -18.02 59.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.041 -172.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -74.53 22.28 0.1 Allowed 'General case' 0 C--O 1.241 0.634 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 174.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -145.13 11.9 1.37 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 122.268 1.033 . . . . 0.0 112.022 170.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -149.93 22.54 0.87 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 123.827 0.851 . . . . 0.0 110.209 -174.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.647 ' O ' HG22 ' A' ' 46' ' ' VAL . 7.6 p -72.45 9.71 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.583 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -170.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.269 2.112 0 O-C-N 121.171 -0.956 . . . . 0.0 110.615 173.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' FMT . . . . . 0.494 ' C ' ' C ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.153 0 CA-C-O 120.689 0.28 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -83.34 -10.6 58.38 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 120.814 -1.179 . . . . 0.0 113.97 -173.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.65 -173.51 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 122.391 1.091 . . . . 0.0 110.225 -173.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 5' ' ' LYS . . . 138.42 115.65 1.35 Allowed Glycine 0 N--CA 1.47 0.919 0 N-CA-C 108.771 -1.732 . . . . 0.0 108.771 -173.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER 85.65 -48.67 0.07 Allowed 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.92 1.688 . . . . 0.0 108.725 -168.413 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.883 HD22 ' CZ ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -83.52 27.51 0.6 Allowed 'General case' 0 C--O 1.251 1.132 0 C-N-CA 123.921 0.888 . . . . 0.0 111.41 170.848 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.18 125.09 22.35 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 120.854 -1.154 . . . . 0.0 109.491 -173.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 48.52 79.0 0.08 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 -168.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.883 ' CZ ' HD22 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -65.89 -148.85 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -164.777 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.402 ' N ' ' CD1' ' A' ' 9' ' ' PHE . 1.0 OUTLIER -48.78 -22.84 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.654 0 O-C-N 120.319 -1.488 . . . . 0.0 113.488 -168.373 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -87.84 0.01 OUTLIER 'General case' 0 C--O 1.243 0.749 0 O-C-N 122.076 -0.39 . . . . 0.0 110.147 174.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.66 -177.78 25.85 Favored Glycine 0 C--N 1.319 -0.379 0 CA-C-O 122.174 0.874 . . . . 0.0 112.047 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -124.35 119.7 30.0 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.06 0.934 . . . . 0.0 111.805 -174.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.36 150.05 30.9 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.789 0.804 . . . . 0.0 110.584 173.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 46.5 55.28 7.71 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 123.145 1.45 . . . . 0.0 110.197 -174.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.08 -8.77 44.88 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 114.958 -1.019 . . . . 0.0 113.496 -172.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HB3' ' C ' ' A' ' 53' ' ' FMT . 1.5 mm-40 62.34 39.16 12.54 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.776 0.798 . . . . 0.0 111.069 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.6 61.84 0.82 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.892 0.853 . . . . 0.0 112.355 -173.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.6 mtp -144.07 -89.52 0.12 Allowed 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.599 -0.688 . . . . 0.0 110.43 173.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -52.83 62.93 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.785 1.279 . . . . 0.0 110.374 174.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -57.4 -20.94 33.02 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.865 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.57 26.38 12.73 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.105 0.955 . . . . 0.0 110.662 -174.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 74.99 82.33 0.1 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.965 1.364 . . . . 0.0 109.494 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.7 m -49.75 121.04 4.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.86 -171.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.522 ' C ' ' HG2' ' A' ' 26' ' ' GLU . 0.7 OUTLIER 174.39 171.42 0.22 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.051 0.929 . . . . 0.0 110.564 173.819 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.522 ' HG2' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER 61.61 18.28 9.38 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.076 -1.015 . . . . 0.0 111.113 -171.819 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.24 20.55 0.24 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 173.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.53 85.34 2.05 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.71 1.243 . . . . 0.0 110.258 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -143.91 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 122.363 1.078 . . . . 0.0 110.076 -173.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -96.98 31.9 2.27 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.835 1.303 . . . . 0.0 110.194 171.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 31' ' ' VAL . 61.9 t -116.7 20.46 6.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 122.329 1.062 . . . . 0.0 110.782 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.53 10.56 4.05 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.448 -172.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.53 11.59 17.12 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.311 -0.868 . . . . 0.0 111.715 172.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -103.68 47.7 0.87 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.405 1.098 . . . . 0.0 110.201 173.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.35 2.99 16.83 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -174.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.489 ' CD ' ' H ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -81.34 17.58 1.31 Allowed 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -177.157 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' CE1' ' A' ' 41' ' ' PHE . 23.2 mtt85 -76.65 95.29 3.93 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.346 0.593 . . . . 0.0 110.905 173.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.606 ' HA ' ' CZ ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -73.87 -25.19 59.91 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -174.743 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.589 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 2.5 p -36.32 -56.58 0.77 Allowed 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 126.308 2.956 . . . . 0.0 113.463 173.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -62.57 -37.27 85.55 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 111.963 -2.38 . . . . 0.0 113.443 -169.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.606 ' CZ ' ' HA ' ' A' ' 38' ' ' THR . 0.3 OUTLIER -57.54 -68.26 0.25 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 124.062 1.887 . . . . 0.0 110.48 -174.801 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.589 ' NE1' ' HA ' ' A' ' 39' ' ' THR . 46.1 p-90 -65.3 -13.2 57.89 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 123.706 1.717 . . . . 0.0 110.911 -172.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.488 ' HE3' ' CH2' ' A' ' 42' ' ' TRP . 3.2 mttt -75.51 23.91 0.12 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 120.1 -1.625 . . . . 0.0 114.297 169.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -128.72 23.54 5.79 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.67 0.747 . . . . 0.0 110.076 170.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -147.66 -38.0 0.2 Allowed 'General case' 0 C--O 1.249 1.038 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -172.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.3 m -68.33 130.97 33.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.976 0.893 . . . . 0.0 110.492 -173.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.27 2.174 0 CA-C-O 121.94 0.876 . . . . 0.0 111.011 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 53' ' ' FMT . . . . . 0.477 ' C ' ' HB3' ' A' ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 58' ' ' FMT . . . . . 0.452 ' C ' ' H ' ' A' ' 36' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.435 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 120.656 0.265 . . . . 0.0 110.354 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.435 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 6.8 p30 -141.66 135.01 29.49 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.012 -1.055 . . . . 0.0 110.653 174.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.62 95.0 3.75 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.877 0.846 . . . . 0.0 110.956 -177.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.1 -92.53 1.88 Allowed Glycine 0 C--N 1.32 -0.311 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 174.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -46.13 -37.9 7.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.24 1.019 . . . . 0.0 111.027 177.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.911 HD22 ' CE1' ' A' ' 9' ' ' PHE . 1.8 mt -82.47 43.4 0.81 Allowed 'General case' 0 C--O 1.259 1.561 0 C-N-CA 123.456 0.703 . . . . 0.0 112.873 173.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -60.51 115.44 3.59 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 120.255 -1.528 . . . . 0.0 110.055 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 41.64 73.78 0.12 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.514 1.15 . . . . 0.0 109.041 -171.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.911 ' CE1' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -46.79 163.03 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 124.949 2.309 . . . . 0.0 115.625 -168.722 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -31.08 -40.31 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 C-N-CA 125.87 1.668 . . . . 0.0 113.894 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.24 98.75 0.11 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.356 1.074 . . . . 0.0 110.707 -176.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.05 -38.42 0.84 Allowed Glycine 0 C--O 1.237 0.302 0 CA-C-O 122.085 0.825 . . . . 0.0 111.607 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.521 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.0 m120 -73.55 -125.39 0.0 OUTLIER 'General case' 0 C--O 1.247 0.962 0 O-C-N 121.802 -0.822 . . . . 0.0 110.798 -175.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER 79.4 126.04 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.003 -1.061 . . . . 0.0 112.036 174.467 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 41.62 37.09 0.65 Allowed 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 124.07 0.948 . . . . 0.0 113.212 174.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.71 -54.64 2.04 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 121.806 -0.559 . . . . 0.0 111.269 -174.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 12.2 51.83 0.0 OUTLIER 'General case' 0 C--O 1.246 0.902 0 C-N-CA 127.053 2.141 . . . . 0.0 114.949 -172.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 13.3 t -155.3 88.27 1.15 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.259 1.028 . . . . 0.0 112.147 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.8 ttt -162.08 -75.24 0.05 OUTLIER 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.92 173.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -60.1 -53.02 62.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.831 0.825 . . . . 0.0 110.959 -177.233 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 3.1 mm-40 -69.81 -11.38 60.82 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 91.96 -36.23 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 126.15 1.78 . . . . 0.0 108.809 -172.305 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 177.45 37.76 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.087 0.946 . . . . 0.0 110.589 170.379 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 41.58 100.54 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 123.848 1.785 . . . . 0.0 113.929 176.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 32' ' ' PHE . 81.0 t80 74.28 139.79 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 120.686 -1.259 . . . . 0.0 110.633 174.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -44.92 122.4 3.24 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.363 1.065 . . . . 0.0 113.869 -171.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 35.99 40.54 0.1 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.965 1.364 . . . . 0.0 111.169 176.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.15 90.48 1.57 Allowed 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 122.826 1.298 . . . . 0.0 111.53 -171.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.557 ' HB3' HG23 ' A' ' 31' ' ' VAL . 8.3 ttt-85 -84.54 21.86 1.41 Allowed 'General case' 0 C--O 1.249 1.034 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -175.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 57.21 23.88 9.2 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.703 1.24 . . . . 0.0 110.0 -169.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.557 HG23 ' HB3' ' A' ' 29' ' ' ARG . 65.1 t -109.99 18.07 7.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 122.176 0.989 . . . . 0.0 110.97 -178.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -135.98 7.92 3.21 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -171.117 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.5 ' HG2' ' CD1' ' A' ' 32' ' ' PHE . 4.3 mm-40 -137.89 31.39 2.48 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.985 1.374 . . . . 0.0 109.595 172.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 164.2 55.97 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 123.669 1.699 . . . . 0.0 109.631 -172.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.661 HG23 ' HG2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -66.02 -50.08 65.47 Favored 'General case' 0 C--O 1.247 0.972 0 CA-C-N 114.771 -1.104 . . . . 0.0 113.474 -170.42 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.661 ' HG2' HG23 ' A' ' 35' ' ' THR . 0.3 OUTLIER -79.17 8.33 6.07 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -171.696 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.8 mtm-85 -84.23 -83.31 0.15 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.301 1.048 . . . . 0.0 110.198 172.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.425 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.6 OUTLIER -74.07 137.96 43.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 122.978 1.371 . . . . 0.0 112.206 -173.726 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.547 ' N ' ' NE1' ' A' ' 42' ' ' TRP . 1.0 OUTLIER 141.72 -37.23 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 129.622 3.169 . . . . 0.0 107.931 171.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -80.29 -67.34 0.78 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 124.636 2.16 . . . . 0.0 112.95 174.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -48.95 -56.15 9.72 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 114.358 -1.292 . . . . 0.0 113.096 -170.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.547 ' NE1' ' N ' ' A' ' 39' ' ' THR . 61.8 p-90 -72.33 -19.17 61.69 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.148 0.975 . . . . 0.0 112.496 -172.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.485 ' CD ' ' CZ3' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -75.24 18.33 0.21 Allowed 'General case' 0 C--O 1.241 0.647 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 173.051 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.19 17.48 12.36 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 122.99 1.376 . . . . 0.0 110.462 172.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.23 -39.39 0.54 Allowed 'General case' 0 C--O 1.243 0.741 0 O-C-N 120.851 -1.155 . . . . 0.0 112.066 -173.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.0 m -63.73 120.02 9.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 122.251 1.024 . . . . 0.0 110.561 176.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 p30 . . . . . 0 C--O 1.27 2.163 0 CA-C-O 121.843 0.83 . . . . 0.0 110.905 -175.803 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.511 -0.532 0 CA-C-O 121.792 0.806 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -177.67 -30.92 0.01 OUTLIER 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.328 0.585 . . . . 0.0 111.741 175.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.755 ' HB2' HD12 ' A' ' 6' ' ' LEU . 21.2 m -74.53 -115.15 0.01 OUTLIER 'General case' 0 C--O 1.249 1.052 0 O-C-N 121.849 -0.532 . . . . 0.0 110.473 174.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.39 -44.52 2.78 Favored Glycine 0 CA--C 1.542 1.762 0 N-CA-C 105.41 -3.076 . . . . 0.0 105.41 -166.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -68.65 0.64 3.95 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 113.254 -1.473 . . . . 0.0 110.697 166.114 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.755 HD12 ' HB2' ' A' ' 3' ' ' SER . 6.9 mt -61.43 -13.59 21.59 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.763 -1.211 . . . . 0.0 110.533 169.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -61.65 -34.51 75.83 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.653 0.74 . . . . 0.0 110.527 173.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -114.33 -66.67 1.06 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 122.639 1.209 . . . . 0.0 108.673 169.85 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.602 ' CZ ' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER 95.25 174.8 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 126.096 1.758 . . . . 0.0 114.734 165.221 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -30.74 -44.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 125.523 1.529 . . . . 0.0 112.271 172.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.88 93.2 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.27 1.033 . . . . 0.0 110.572 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.72 -158.72 7.66 Favored Glycine 0 N--CA 1.462 0.4 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -80.41 -117.14 0.02 OUTLIER 'General case' 0 C--O 1.247 0.937 0 O-C-N 122.19 -0.594 . . . . 0.0 110.283 -177.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.3 mt 56.85 -93.14 0.04 OUTLIER 'General case' 0 C--O 1.248 0.975 0 O-C-N 121.586 -0.696 . . . . 0.0 111.76 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 pm0 -126.4 45.4 2.67 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 121.093 -1.005 . . . . 0.0 110.859 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -150.55 63.58 0.94 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.167 0.984 . . . . 0.0 110.755 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -68.3 -148.56 0.01 OUTLIER 'General case' 0 C--O 1.247 0.949 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.297 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 m -80.02 140.7 36.44 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.09 0.948 . . . . 0.0 110.444 -174.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mmm -62.98 -75.7 0.07 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.589 1.185 . . . . 0.0 111.22 -173.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.19 -168.84 0.01 OUTLIER 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.596 1.189 . . . . 0.0 110.003 175.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -70.49 11.02 0.39 Allowed 'General case' 0 C--O 1.251 1.174 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -44.01 64.15 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.194 0.997 . . . . 0.0 110.799 174.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.2 m -136.18 108.21 7.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.656 0.741 . . . . 0.0 110.831 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.0 p -144.34 105.93 4.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.961 0.886 . . . . 0.0 111.449 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -155.05 -42.59 0.08 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.389 0.614 . . . . 0.0 112.474 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.443 ' C ' ' HG2' ' A' ' 27' ' ' GLU . 3.3 pm0 -30.9 98.95 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 124.72 1.208 . . . . 0.0 113.812 -174.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HG2' ' C ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 33.33 67.76 0.18 Allowed 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 124.935 1.294 . . . . 0.0 113.196 178.005 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.47 99.77 3.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.587 0.708 . . . . 0.0 110.501 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -74.0 -31.89 63.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.761 0.791 . . . . 0.0 111.245 -174.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -91.31 22.87 3.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.499 0.666 . . . . 0.0 112.598 174.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.2 t -148.76 22.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 122.003 0.906 . . . . 0.0 111.079 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.18 -41.22 10.57 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.833 0.825 . . . . 0.0 111.81 -173.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -116.43 37.32 3.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.386 0.612 . . . . 0.0 111.727 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -148.23 -31.85 0.27 Allowed 'General case' 0 C--O 1.252 1.19 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.446 HG23 ' HG2' ' A' ' 36' ' ' GLU . 3.8 t -62.35 -59.71 4.61 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.029 -1.044 . . . . 0.0 111.572 -173.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.446 ' HG2' HG23 ' A' ' 35' ' ' THR . 2.0 mm-40 -81.41 11.26 4.63 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -173.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -82.96 -53.01 6.17 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.562 0.696 . . . . 0.0 111.572 174.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.475 HG22 ' H ' ' A' ' 39' ' ' THR . 0.7 OUTLIER -54.27 176.71 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.513 0.673 . . . . 0.0 110.862 174.884 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.475 ' H ' HG22 ' A' ' 38' ' ' THR . 1.4 m 82.7 -58.64 0.17 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 125.644 2.64 . . . . 0.0 113.83 -172.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -78.63 -61.96 1.84 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 123.844 1.783 . . . . 0.0 112.28 171.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -51.2 -52.05 48.12 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.832 1.301 . . . . 0.0 112.424 -169.439 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.511 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 1.2 p-90 -68.17 -26.89 65.98 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.562 -171.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.28 16.85 0.22 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.36 11.15 38.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.586 1.184 . . . . 0.0 111.693 170.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -133.71 -39.73 0.88 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 124.01 0.924 . . . . 0.0 109.871 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 t -72.38 114.1 10.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 t0 . . . . . 0 C--O 1.27 2.16 0 CA-C-O 122.06 0.934 . . . . 0.0 111.141 -179.142 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.1 t80 . . . . . 0 C--O 1.239 0.527 0 CA-C-O 121.523 0.678 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 51.54 84.29 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.018 0.913 . . . . 0.0 111.761 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.59 ' HB3' ' CB ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER 63.16 -162.56 0.28 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.709 1.242 . . . . 0.0 111.137 178.781 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.61 -34.4 5.6 Favored Glycine 0 N--CA 1.481 1.641 0 N-CA-C 106.451 -2.66 . . . . 0.0 106.451 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.21 -71.59 0.75 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.037 -1.082 . . . . 0.0 109.612 170.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.515 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 23.2 mt -79.67 -70.85 0.48 Allowed 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -172.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.59 ' CB ' ' HB3' ' A' ' 3' ' ' SER . 11.4 mm-40 -55.83 143.5 31.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 123.255 1.502 . . . . 0.0 109.806 -172.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HG2' ' C ' ' A' ' 7' ' ' GLU . 5.5 mm-40 71.83 -69.57 0.18 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -164.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.515 ' CD1' ' HA ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER 85.04 166.42 0.09 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 124.745 2.212 . . . . 0.0 116.885 162.578 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -25.65 -42.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 C-N-CA 127.207 2.203 . . . . 0.0 111.742 168.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -83.35 70.66 10.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.721 0.772 . . . . 0.0 110.792 172.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.6 173.02 15.34 Favored Glycine 0 C--N 1.32 -0.333 0 CA-C-O 122.256 0.92 . . . . 0.0 111.892 -173.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -129.3 62.69 1.51 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.064 0.935 . . . . 0.0 110.972 174.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.0 mt -92.0 -126.08 0.09 Allowed 'General case' 0 C--O 1.25 1.111 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.212 176.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' ARG . 3.9 mt-10 -93.78 41.62 1.09 Allowed 'General case' 0 C--N 1.317 -0.831 0 O-C-N 120.993 -1.067 . . . . 0.0 112.452 177.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER 26.33 59.6 0.07 Allowed 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 126.37 1.868 . . . . 0.0 110.953 171.086 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' HG2' ' H ' ' A' ' 17' ' ' GLU . 0.8 OUTLIER -42.15 164.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 123.486 1.612 . . . . 0.0 112.93 174.755 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -86.86 20.05 2.75 Favored 'General case' 0 C--O 1.245 0.846 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -173.655 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.523 ' CB ' ' O ' ' A' ' 18' ' ' CYS . 32.9 ttm 105.74 97.22 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 126.281 1.832 . . . . 0.0 107.327 -168.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.63 -50.13 4.13 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -173.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -35.05 72.12 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.716 0.77 . . . . 0.0 111.059 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -87.15 9.11 21.01 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 176.192 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.63 -77.38 0.53 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.348 1.071 . . . . 0.0 109.453 175.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.4 -170.63 0.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.942 173.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER 67.41 -88.07 0.03 OUTLIER 'General case' 0 C--O 1.243 0.735 0 C-N-CA 123.801 0.84 . . . . 0.0 112.402 173.084 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 3.3 mm-40 -28.24 122.65 0.11 Allowed 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 125.435 1.494 . . . . 0.0 114.175 -173.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 51.5 39.99 25.88 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.732 -0.605 . . . . 0.0 111.962 174.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.825 ' HB1' HG12 ' A' ' 31' ' ' VAL . . . -54.89 115.49 2.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.489 0.661 . . . . 0.0 110.074 174.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.41 ' H ' ' HG2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -79.96 -78.69 0.16 Allowed 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.493 0.663 . . . . 0.0 110.796 175.31 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.09 26.0 3.93 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.827 0.822 . . . . 0.0 112.254 -174.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.825 HG12 ' HB1' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -126.82 11.11 3.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 122.786 1.279 . . . . 0.0 111.583 173.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.21 -20.65 14.06 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.381 -0.824 . . . . 0.0 112.535 -173.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.41 15.92 2.8 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -106.75 -10.18 16.18 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.405 -0.809 . . . . 0.0 112.268 173.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t -81.08 -38.42 27.36 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.767 0.794 . . . . 0.0 111.494 175.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -82.84 21.86 0.98 Allowed 'General case' 0 C--O 1.243 0.751 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -81.83 -26.89 33.92 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.368 -0.833 . . . . 0.0 112.187 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.467 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.2 OUTLIER -57.25 172.75 0.29 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.794 -0.566 . . . . 0.0 111.427 -175.528 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.581 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 0.5 OUTLIER 94.28 -59.28 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 124.068 1.889 . . . . 0.0 109.166 -177.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.581 ' N ' ' CG2' ' A' ' 39' ' ' THR . 9.6 tt0 -76.41 -49.07 17.68 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 113.189 -1.823 . . . . 0.0 114.689 -171.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.449 ' CD2' ' N ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -49.2 -52.48 26.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.106 1.431 . . . . 0.0 110.637 -174.462 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.517 ' NE1' ' HA ' ' A' ' 39' ' ' THR . 50.6 p-90 -77.69 -13.82 59.79 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.377 1.085 . . . . 0.0 112.21 -175.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.42 17.25 0.11 Allowed 'General case' 0 C--O 1.238 0.453 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 172.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.27 18.21 11.49 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 122.402 1.096 . . . . 0.0 110.148 169.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -147.81 13.1 1.02 Allowed 'General case' 0 C--O 1.246 0.901 0 O-C-N 121.596 -0.69 . . . . 0.0 112.19 -173.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.31 127.21 31.91 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-O 121.847 0.832 . . . . 0.0 109.945 -173.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 C--O 1.27 2.167 0 CA-C-O 122.021 0.915 . . . . 0.0 111.055 175.433 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 122.123 0.963 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -142.42 59.54 1.45 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.027 0.918 . . . . 0.0 110.689 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.66 123.13 12.25 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.11 0.957 . . . . 0.0 111.43 -174.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.61 -92.58 0.89 Allowed Glycine 0 N--CA 1.461 0.365 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -52.68 -27.3 16.81 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.036 0.922 . . . . 0.0 110.995 174.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.871 HD22 ' CZ ' ' A' ' 9' ' ' PHE . 8.8 mt -82.54 39.84 0.63 Allowed 'General case' 0 C--O 1.25 1.125 0 C-N-CA 123.668 0.787 . . . . 0.0 112.452 172.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.01 139.02 54.95 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 120.321 -1.487 . . . . 0.0 110.794 -176.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 44.78 28.25 0.33 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.223 1.011 . . . . 0.0 109.777 -172.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.871 ' CZ ' HD22 ' A' ' 6' ' ' LEU . 0.7 OUTLIER -13.07 -133.76 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 129.856 3.262 . . . . 0.0 117.285 -169.418 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' N ' ' CD1' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -59.47 -20.76 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 O-C-N 119.997 -1.689 . . . . 0.0 110.896 -173.207 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -83.72 38.29 0.63 Allowed 'General case' 0 C--O 1.247 0.943 0 C-N-CA 123.996 0.918 . . . . 0.0 112.97 172.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.67 -132.35 3.92 Favored Glycine 0 C--N 1.318 -0.42 0 O-C-N 121.237 -0.915 . . . . 0.0 111.241 -174.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 49.54 26.37 1.7 Allowed 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.926 -0.749 . . . . 0.0 111.236 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt 45.06 56.51 5.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.084 0.945 . . . . 0.0 111.808 -175.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.422 ' HA ' ' NH2' ' A' ' 16' ' ' ARG . 10.7 mt-10 45.58 69.39 0.46 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 124.659 2.171 . . . . 0.0 110.736 -178.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' NH2' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -50.61 -14.79 0.21 Allowed 'General case' 0 C--O 1.25 1.096 0 CA-C-N 114.069 -1.423 . . . . 0.0 113.418 173.154 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.43 -164.44 0.06 Allowed 'General case' 0 C--N 1.318 -0.778 0 O-C-N 121.009 -1.057 . . . . 0.0 110.675 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 82.2 m -85.71 140.74 30.26 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.159 0.98 . . . . 0.0 111.248 -174.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mtm -62.67 -74.48 0.09 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.539 1.161 . . . . 0.0 110.743 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -167.87 0.01 OUTLIER 'General case' 0 C--O 1.241 0.645 0 CA-C-O 122.564 1.173 . . . . 0.0 109.809 174.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' C ' ' C ' ' A' ' 53' ' ' FMT . 13.3 pt-20 -71.11 3.97 3.08 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 114.498 1.295 . . . . 0.0 114.498 177.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -54.94 -28.61 52.44 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 121.201 -0.937 . . . . 0.0 111.329 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 46.1 m -133.14 -43.8 0.86 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.727 0.775 . . . . 0.0 111.263 174.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 p -142.84 135.04 27.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.646 0.736 . . . . 0.0 111.076 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -96.94 -81.06 0.43 Allowed 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.949 0.881 . . . . 0.0 110.624 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -130.31 -47.31 1.09 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 123.529 1.633 . . . . 0.0 109.331 173.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -143.88 47.44 1.44 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.533 1.159 . . . . 0.0 109.55 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.91 10.18 1.26 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -84.13 -75.02 0.36 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 122.848 1.308 . . . . 0.0 110.739 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.37 22.87 4.24 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.66 -174.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.817 HG13 HG23 ' A' ' 35' ' ' THR . 48.6 t -127.9 24.39 2.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 122.757 1.265 . . . . 0.0 110.451 173.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.11 90.46 2.75 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.309 1.052 . . . . 0.0 110.193 -173.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 64.78 32.34 11.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.695 0.759 . . . . 0.0 111.012 -172.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -177.3 46.89 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 123.024 1.393 . . . . 0.0 110.464 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.817 HG23 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -77.77 -68.58 0.61 Allowed 'General case' 0 C--O 1.242 0.7 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -172.071 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.78 19.16 0.87 Allowed 'General case' 0 C--O 1.243 0.745 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -171.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 mtp-105 -82.41 -68.27 0.72 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.981 0.896 . . . . 0.0 110.347 172.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.526 HG22 ' H ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -57.32 177.33 0.09 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.421 0.629 . . . . 0.0 111.014 173.756 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.526 ' H ' HG22 ' A' ' 38' ' ' THR . 0.5 OUTLIER 89.48 -54.0 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 126.326 2.965 . . . . 0.0 108.972 -172.698 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.535 ' HG2' ' N ' ' A' ' 41' ' ' PHE . 6.4 tt0 -79.18 -71.38 0.45 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 112.98 -1.918 . . . . 0.0 113.74 174.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.535 ' N ' ' HG2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -49.73 -46.75 50.69 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 122.605 1.193 . . . . 0.0 112.865 -172.068 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.487 ' NE1' ' HG3' ' A' ' 43' ' ' LYS . 1.2 p-90 -70.0 -23.0 63.07 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -170.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.487 ' HG3' ' NE1' ' A' ' 42' ' ' TRP . 30.0 mttm -74.47 19.88 0.12 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -112.5 27.92 9.22 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.785 0.802 . . . . 0.0 110.925 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -143.86 -39.63 0.3 Allowed 'General case' 0 C--O 1.245 0.817 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -174.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 m -53.87 136.13 15.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 122.06 0.933 . . . . 0.0 110.477 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.271 2.209 0 CA-C-O 122.107 0.956 . . . . 0.0 111.019 176.094 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 53' ' ' FMT . . . . . 0.402 ' C ' ' C ' ' A' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 59' ' ' FMT . . . . . 0.427 ' C ' ' C ' ' A' ' 40' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.478 0 CA-C-O 121.614 0.721 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 3' ' ' SER . 71.8 m-80 -41.5 89.07 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -171.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.614 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 69.8 m 121.8 140.35 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 127.32 2.248 . . . . 0.0 112.333 171.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.46 -28.48 29.89 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 107.52 -2.232 . . . . 0.0 107.52 167.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -0.35 8.09 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 114.308 -0.946 . . . . 0.0 111.116 168.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.632 HD23 ' CE1' ' A' ' 9' ' ' PHE . 4.2 mt -59.37 -46.95 87.24 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 120.968 -1.083 . . . . 0.0 109.74 172.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.544 ' N ' ' C ' ' A' ' 48' ' ' FMT . 1.4 mp0 -61.96 145.09 53.97 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 166.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 44.63 48.11 8.64 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 123.145 1.45 . . . . 0.0 109.52 -170.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.632 ' CE1' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -61.37 162.13 8.28 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -170.272 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.43 HG13 ' CD1' ' A' ' 9' ' ' PHE . 2.0 m -27.46 115.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 125.419 2.533 . . . . 0.0 113.984 175.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -85.38 -82.34 0.18 Allowed 'General case' 0 C--O 1.247 0.951 0 C-N-CA 126.234 1.814 . . . . 0.0 113.949 -163.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -113.17 -156.98 12.46 Favored Glycine 0 C--O 1.24 0.5 0 O-C-N 121.254 -0.904 . . . . 0.0 110.878 -173.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.75 -173.59 2.33 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.069 -0.665 . . . . 0.0 110.961 176.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.634 HD13 ' OE2' ' A' ' 17' ' ' GLU . 0.1 OUTLIER 53.71 -146.13 0.56 Allowed 'General case' 0 C--O 1.256 1.437 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -172.615 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -70.65 -47.71 58.61 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 171.162 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER 128.82 27.45 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 127.835 2.454 . . . . 0.0 113.659 173.674 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.634 ' OE2' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER 37.51 -155.32 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.298 1.047 . . . . 0.0 111.683 -172.421 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.95 158.83 16.73 Favored 'General case' 0 C--O 1.244 0.802 0 O-C-N 121.53 -0.731 . . . . 0.0 109.833 171.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -88.93 0.09 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.976 0.893 . . . . 0.0 110.086 -174.125 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -174.63 0.06 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.459 1.123 . . . . 0.0 110.464 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -72.73 -1.63 17.18 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -51.9 -42.92 63.1 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.474 -0.766 . . . . 0.0 112.48 -172.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.81 -75.82 0.55 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.801 0.81 . . . . 0.0 112.316 -173.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.28 -174.02 0.16 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.696 0.76 . . . . 0.0 110.569 -173.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.471 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -179.22 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -174.242 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 25.1 mm-40 -23.99 -74.91 0.02 OUTLIER 'General case' 0 C--O 1.246 0.879 0 C-N-CA 125.872 1.669 . . . . 0.0 115.116 -171.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.646 ' O ' HG12 ' A' ' 31' ' ' VAL . 60.6 mm-40 -122.21 26.77 8.31 Favored 'General case' 0 C--O 1.248 0.99 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -171.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.95 4.11 8.89 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 173.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HG2' ' HG2' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -82.41 100.1 9.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 123.445 1.593 . . . . 0.0 110.219 -173.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HG2' ' HG2' ' A' ' 29' ' ' ARG . 1.6 mm-40 59.81 20.45 9.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 122.107 0.956 . . . . 0.0 112.532 174.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -131.73 7.89 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.431 1.11 . . . . 0.0 111.209 171.027 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -100.27 47.07 0.94 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 124.539 2.114 . . . . 0.0 109.107 -174.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 55.11 7.61 0.2 Allowed 'General case' 0 C--O 1.252 1.204 0 CA-C-N 114.038 -1.437 . . . . 0.0 113.793 -174.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 36.23 59.04 0.97 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 123.894 1.807 . . . . 0.0 108.484 -171.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.68 -17.43 62.95 Favored 'General case' 0 C--O 1.255 1.368 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -168.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.61 -26.84 68.58 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 123.957 1.837 . . . . 0.0 110.88 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -68.38 0.74 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 113.529 -1.669 . . . . 0.0 111.137 172.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.784 HG22 ' HD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -72.64 140.91 48.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 123.945 1.831 . . . . 0.0 113.187 -171.746 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.532 ' N ' ' HE1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER 138.89 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 130.724 3.61 . . . . 0.0 107.571 -179.577 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -75.04 0.22 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 125.735 2.683 . . . . 0.0 112.708 172.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.413 ' CG ' ' N ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -47.01 -55.18 8.64 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 112.99 -1.913 . . . . 0.0 113.842 -168.837 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.784 ' HD1' HG22 ' A' ' 38' ' ' THR . 68.8 p-90 -76.96 -19.95 56.72 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.819 0.818 . . . . 0.0 113.024 -172.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.497 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 5.5 mmtt -74.9 22.09 0.11 Allowed 'General case' 0 C--O 1.241 0.639 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.24 21.85 11.58 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.666 0.746 . . . . 0.0 110.732 171.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -137.25 -31.4 0.82 Allowed 'General case' 0 C--O 1.248 1.0 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -173.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.9 m -57.23 133.85 21.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 122.146 0.975 . . . . 0.0 110.659 -174.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.161 0 CA-C-O 122.081 0.943 . . . . 0.0 111.188 -174.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' FMT . . . . . 0.544 ' C ' ' N ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.4 p90 . . . . . 0 CA--C 1.511 -0.534 0 CA-C-O 121.753 0.787 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 m120 63.01 98.6 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.392 1.091 . . . . 0.0 112.22 174.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 76.86 122.61 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.78 1.276 . . . . 0.0 112.905 172.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.53 -104.71 0.25 Allowed Glycine 0 N--CA 1.466 0.678 0 N-CA-C 108.901 -1.679 . . . . 0.0 108.901 172.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -59.89 -31.77 70.12 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.624 1.202 . . . . 0.0 109.425 170.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.591 HD12 ' HE2' ' A' ' 9' ' ' PHE . 2.9 mt -80.87 69.83 7.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.918 1.342 . . . . 0.0 110.006 171.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.24 147.55 29.9 Favored 'General case' 0 C--O 1.242 0.706 0 O-C-N 120.929 -1.107 . . . . 0.0 111.979 -171.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 44.77 52.34 7.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 123.164 1.459 . . . . 0.0 109.216 -173.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.656 ' CE1' HG13 ' A' ' 10' ' ' VAL . 1.0 OUTLIER -45.51 140.7 3.08 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -168.391 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.656 HG13 ' CE1' ' A' ' 9' ' ' PHE . 1.6 m -31.14 113.06 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-O 125.853 2.74 . . . . 0.0 113.531 177.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -85.63 155.91 20.93 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 126.688 1.995 . . . . 0.0 112.582 -162.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.33 145.68 7.42 Favored Glycine 0 C--N 1.32 -0.338 0 CA-C-O 122.38 0.989 . . . . 0.0 113.813 -172.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.82 1.86 32.06 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 121.827 -0.808 . . . . 0.0 112.774 173.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -149.38 29.37 0.78 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 122.057 0.932 . . . . 0.0 111.9 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -126.27 26.56 6.41 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.748 1.261 . . . . 0.0 110.242 171.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.93 16.27 4.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.051 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -63.42 -118.8 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.472 -0.767 . . . . 0.0 109.12 171.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 23' ' ' CYS . 18.1 m -76.95 139.42 40.14 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 171.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.3 mtt -71.18 -88.94 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 122.518 1.152 . . . . 0.0 110.274 -170.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -60.38 170.42 1.35 Allowed 'General case' 0 C--O 1.245 0.85 0 CA-C-O 123.032 1.396 . . . . 0.0 109.198 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -74.45 14.91 0.4 Allowed 'General case' 0 C--O 1.25 1.096 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -85.44 -57.49 3.05 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.024 0.916 . . . . 0.0 111.599 -172.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -61.77 -67.45 0.41 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.618 0.723 . . . . 0.0 110.269 -176.075 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.3 p 47.82 78.05 0.08 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.488 0.661 . . . . 0.0 110.905 174.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -122.69 19.58 10.28 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -171.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -23.6 43.63 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.669 -0.644 . . . . 0.0 112.268 -173.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -128.73 58.35 1.58 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 122.666 1.222 . . . . 0.0 110.022 173.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.56 -151.15 0.02 OUTLIER 'General case' 0 C--O 1.242 0.705 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.698 -171.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.533 ' HA ' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -66.38 6.81 0.38 Allowed 'General case' 0 C--O 1.25 1.092 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -171.726 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.64 13.97 11.06 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 119.066 0.848 . . . . 0.0 112.553 171.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' O ' HG12 ' A' ' 31' ' ' VAL . 53.7 t -150.11 17.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.583 0.706 . . . . 0.0 110.802 -174.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.533 ' CD1' ' HA ' ' A' ' 29' ' ' ARG . 2.5 m-85 -88.05 -15.95 34.91 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.11 31.13 1.77 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.704 0.764 . . . . 0.0 110.236 173.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 46.98 41.01 10.29 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 123.892 1.806 . . . . 0.0 109.462 -172.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -8.88 2.99 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.564 -172.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -83.6 22.11 1.13 Allowed 'General case' 0 C--O 1.246 0.917 0 O-C-N 121.048 -1.033 . . . . 0.0 113.754 172.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -45.99 14.69 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.16 -0.963 . . . . 0.0 113.315 -173.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 39' ' ' THR . 0.5 OUTLIER -54.06 172.52 0.08 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.89 0.852 . . . . 0.0 111.322 -171.599 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.528 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER 80.87 -72.54 0.06 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 124.11 1.91 . . . . 0.0 110.95 -168.334 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -75.16 -49.61 18.94 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 113.519 -1.673 . . . . 0.0 112.725 -172.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.65 -52.89 35.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 123.401 1.572 . . . . 0.0 110.451 -173.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.528 ' NE1' ' HA ' ' A' ' 39' ' ' THR . 33.0 p-90 -76.74 -16.33 59.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.984 -174.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -72.95 21.63 0.07 Allowed 'General case' 0 C--O 1.241 0.651 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 171.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.88 10.09 36.53 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 122.188 0.994 . . . . 0.0 112.082 172.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.829 ' CE1' HG23 ' A' ' 46' ' ' VAL . 32.2 p90 -143.14 -54.31 0.39 Allowed 'General case' 0 C--O 1.242 0.71 0 O-C-N 121.372 -0.83 . . . . 0.0 111.073 -173.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.829 HG23 ' CE1' ' A' ' 45' ' ' TYR . 6.0 t -69.17 115.46 7.82 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 CA-C-O 121.846 0.832 . . . . 0.0 109.851 174.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.7 p30 . . . . . 0 C--O 1.27 2.173 0 CA-C-O 122.049 0.928 . . . . 0.0 110.97 -174.71 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.442 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 0.3 OUTLIER . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 121.671 0.748 . . . . 0.0 111.295 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 1' ' ' TYR . 2.3 m120 87.94 -22.47 0.14 Allowed 'General case' 0 C--O 1.243 0.713 0 C-N-CA 124.989 1.316 . . . . 0.0 112.232 -176.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 p 56.11 -173.08 0.07 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 122.214 1.007 . . . . 0.0 111.014 173.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 5' ' ' LYS . . . 141.9 106.69 0.61 Allowed Glycine 0 N--CA 1.472 1.053 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 -173.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 42.7 mmtt 86.84 -47.64 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 123.564 1.649 . . . . 0.0 107.686 -167.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.766 HD22 HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -82.93 48.53 1.37 Allowed 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 125.19 1.396 . . . . 0.0 109.277 165.158 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.489 ' C ' ' HG2' ' A' ' 8' ' ' GLU . 10.9 mm-40 -72.38 107.59 5.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.834 0.826 . . . . 0.0 109.715 -174.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.489 ' HG2' ' C ' ' A' ' 7' ' ' GLU . 0.5 OUTLIER 74.1 0.18 3.53 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.798 -172.58 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.703 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -134.93 173.24 11.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 124.198 1.951 . . . . 0.0 114.089 173.581 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.766 HG22 HD22 ' A' ' 6' ' ' LEU . 2.1 t -171.47 -54.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 123.269 1.509 . . . . 0.0 110.386 169.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -82.77 113.02 20.13 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.991 173.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.9 121.14 2.8 Favored Glycine 0 C--O 1.237 0.289 0 CA-C-O 121.964 0.758 . . . . 0.0 111.961 174.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.29 -42.74 1.82 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.861 0.839 . . . . 0.0 111.232 174.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.4 10.38 2.08 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -174.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.03 27.04 9.39 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.325 -0.859 . . . . 0.0 111.514 174.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.11 19.14 6.5 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 121.908 -0.495 . . . . 0.0 112.273 -174.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 49.69 -147.99 0.3 Allowed 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.259 0.552 . . . . 0.0 110.378 -174.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.71 164.19 22.98 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.506 -0.746 . . . . 0.0 110.317 173.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.74 -85.23 0.09 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.104 0.954 . . . . 0.0 110.293 -174.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -175.74 0.05 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.592 1.187 . . . . 0.0 110.325 175.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -73.75 8.49 1.9 Allowed 'General case' 0 C--O 1.249 1.055 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -72.89 -39.32 66.49 Favored 'General case' 0 C--N 1.316 -0.864 0 O-C-N 121.069 -1.019 . . . . 0.0 111.201 -172.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.07 27.49 3.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.415 0.626 . . . . 0.0 112.124 176.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.1 p -110.43 62.16 0.6 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.998 0.904 . . . . 0.0 110.203 174.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.604 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 1.9 p90 -88.01 -86.27 0.17 Allowed 'General case' 0 C--O 1.253 1.242 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.227 -172.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.604 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 18.6 mm-40 36.29 50.16 0.72 Allowed 'General case' 0 C--N 1.315 -0.925 0 O-C-N 119.055 -2.278 . . . . 0.0 112.278 -165.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HG2' ' C ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER 66.45 7.89 5.34 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 172.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' ' 32' ' ' PHE . . . -77.58 81.02 4.05 Favored 'General case' 0 C--O 1.246 0.903 0 C-N-CA 124.28 1.032 . . . . 0.0 110.851 173.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -62.91 -84.78 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.01 0.91 . . . . 0.0 110.83 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -147.83 34.18 0.84 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.198 1.475 . . . . 0.0 109.679 173.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.785 HG12 HG23 ' A' ' 35' ' ' THR . 2.2 t -140.37 22.69 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.929 -173.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.411 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 14.7 t80 -126.2 50.43 1.89 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 122.59 1.186 . . . . 0.0 111.305 -170.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -175.53 -35.99 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.273 1.035 . . . . 0.0 111.046 174.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -129.58 64.85 1.49 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.886 0.85 . . . . 0.0 110.875 175.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.785 HG23 HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -78.78 -80.55 0.11 Allowed 'General case' 0 C--O 1.249 1.033 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -173.102 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -81.92 2.34 31.04 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -170.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 -82.83 -60.2 2.25 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.41 0.624 . . . . 0.0 111.472 -173.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -153.53 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.156 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.529 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 0.1 OUTLIER 48.7 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 125.92 1.688 . . . . 0.0 113.646 -171.517 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -53.82 -45.67 70.92 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 176.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -46.87 -50.72 18.16 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 122.638 1.209 . . . . 0.0 112.081 -170.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.529 ' NE1' ' HA ' ' A' ' 39' ' ' THR . 55.3 p-90 -84.11 -19.48 34.18 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 122.015 0.912 . . . . 0.0 112.562 -174.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.529 ' CD ' ' CH2' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -73.33 20.07 0.09 Allowed 'General case' 0 C--O 1.241 0.606 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -179.353 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -114.04 13.15 18.12 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.181 0.991 . . . . 0.0 111.105 169.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -148.67 19.47 1.03 Allowed 'General case' 0 C--O 1.243 0.747 0 O-C-N 121.532 -0.73 . . . . 0.0 110.907 -174.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.9 t -68.88 152.08 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 CA-C-O 122.069 0.938 . . . . 0.0 109.972 -172.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 . . . . . 0 C--O 1.27 2.177 0 CA-C-O 121.992 0.901 . . . . 0.0 110.964 -174.663 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.243 0.718 0 CA-C-O 121.435 0.636 . . . . 0.0 111.904 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 52.26 87.51 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.392 -0.817 . . . . 0.0 111.368 -175.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.508 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -82.56 6.26 18.19 Favored 'General case' 0 C--O 1.259 1.584 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.807 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.2 27.11 22.58 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 107.137 -2.385 . . . . 0.0 107.137 -168.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.21 91.03 0.02 OUTLIER 'General case' 0 C--O 1.253 1.245 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -166.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.508 ' HG ' ' HB3' ' A' ' 3' ' ' SER . 3.1 mt -53.42 115.54 1.98 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 124.132 1.92 . . . . 0.0 109.081 -164.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.448 ' C ' ' C ' ' A' ' 48' ' ' FMT . 1.0 OUTLIER -68.24 124.46 23.52 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.511 -165.794 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 56.22 69.65 0.72 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 123.424 1.583 . . . . 0.0 107.193 -165.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.46 ' CD2' ' HB ' ' A' ' 10' ' ' VAL . 0.7 OUTLIER -42.77 153.89 0.07 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 126.493 3.044 . . . . 0.0 117.845 -163.818 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.46 ' HB ' ' CD2' ' A' ' 9' ' ' PHE . 0.8 OUTLIER -24.02 -43.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 C-N-CA 127.674 2.39 . . . . 0.0 113.47 173.758 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.64 88.25 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.251 1.024 . . . . 0.0 109.877 171.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.96 144.21 17.06 Favored Glycine 0 C--N 1.319 -0.388 0 CA-C-O 122.255 0.92 . . . . 0.0 113.318 -171.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -148.58 109.87 4.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.69 0.757 . . . . 0.0 110.822 -175.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.8 mt -106.2 -53.78 2.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.247 1.023 . . . . 0.0 111.137 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.12 30.08 1.72 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.514 0.673 . . . . 0.0 112.389 -174.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -115.32 -24.78 8.28 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.629 -0.669 . . . . 0.0 111.76 175.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -161.88 0.9 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.994 0.902 . . . . 0.0 110.635 174.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 30.1 m -83.53 136.47 34.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.837 0.827 . . . . 0.0 110.574 173.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -80.55 0.08 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.218 1.008 . . . . 0.0 110.939 -175.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -59.58 -172.5 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.521 1.153 . . . . 0.0 110.184 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -72.69 14.38 0.27 Allowed 'General case' 0 C--O 1.251 1.151 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -46.45 68.51 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.193 -0.942 . . . . 0.0 111.229 -178.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 3.1 m -121.45 -23.32 5.68 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -175.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.424 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 79.8 p -49.74 107.38 0.15 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.556 0.693 . . . . 0.0 111.385 -174.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.461 ' CD2' ' HG2' ' A' ' 26' ' ' GLU . 5.4 p90 45.8 -161.22 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 123.743 0.817 . . . . 0.0 111.429 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.461 ' HG2' ' CD2' ' A' ' 25' ' ' PHE . 2.8 mm-40 67.04 120.86 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.135 0.969 . . . . 0.0 110.394 -173.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 50.28 68.45 0.76 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.591 1.186 . . . . 0.0 110.26 -173.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.45 177.67 0.18 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 127.106 3.336 . . . . 0.0 115.331 -173.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.538 ' C ' ' H ' ' A' ' 31' ' ' VAL . 29.5 mtm180 -82.39 112.15 19.09 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 109.07 -3.696 . . . . 0.0 111.807 -169.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -83.98 36.99 0.58 Allowed 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 128.218 3.866 . . . . 0.0 102.834 147.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.538 ' H ' ' C ' ' A' ' 29' ' ' ARG . 53.6 t -147.5 12.92 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 129.378 3.071 . . . . 0.0 112.125 -158.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 28.8 m-85 -89.4 14.89 10.17 Favored 'General case' 0 C--O 1.243 0.719 0 O-C-N 120.83 -1.169 . . . . 0.0 112.418 -169.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.432 ' H ' ' HG2' ' A' ' 33' ' ' GLU . 0.5 OUTLIER -120.89 -47.48 2.29 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.796 1.284 . . . . 0.0 110.296 177.313 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -112.43 77.81 1.08 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.185 0.993 . . . . 0.0 110.003 174.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.645 HG23 ' HG2' ' A' ' 36' ' ' GLU . 1.3 t -79.36 -53.5 6.86 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -171.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.645 ' HG2' HG23 ' A' ' 35' ' ' THR . 1.5 mm-40 -80.2 -0.26 35.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 -170.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -83.82 -57.87 3.03 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.331 0.586 . . . . 0.0 110.982 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.2 m -54.92 -101.88 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 171.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.544 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 1.5 p 28.98 -78.04 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 125.85 2.738 . . . . 0.0 117.447 167.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -76.78 -51.5 11.26 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 123.852 1.786 . . . . 0.0 110.999 -175.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CG ' ' N ' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -48.78 -58.23 5.11 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 122.544 1.164 . . . . 0.0 113.081 178.726 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.544 ' HE1' ' HA ' ' A' ' 39' ' ' THR . 5.1 p-90 -70.01 -28.91 65.88 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.892 -170.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.482 ' HG3' ' NE1' ' A' ' 42' ' ' TRP . 21.8 mtmt -75.59 16.58 0.36 Allowed 'General case' 0 C--O 1.242 0.709 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 173.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -105.16 17.62 23.74 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 122.158 0.98 . . . . 0.0 110.965 172.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -124.56 -29.23 3.49 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 121.586 -0.696 . . . . 0.0 111.585 -176.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.0 m -71.82 133.89 30.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 O-C-N 121.445 -0.784 . . . . 0.0 110.151 174.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t0 . . . . . 0 C--O 1.269 2.127 0 CA-C-O 121.993 0.901 . . . . 0.0 110.966 -176.938 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 48' ' ' FMT . . . . . 0.448 ' C ' ' C ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 48.9 t80 . . . . . 0 C--O 1.239 0.551 0 CA-C-O 121.527 0.679 . . . . 0.0 111.724 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 80.24 59.87 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.243 1.02 . . . . 0.0 111.563 173.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.506 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 54.3 p -91.61 -33.07 15.25 Favored 'General case' 0 C--O 1.251 1.132 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.839 173.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.79 52.11 54.44 Favored Glycine 0 CA--C 1.553 2.449 1 N-CA-C 102.385 -4.286 . . . . 0.0 102.385 -167.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' C ' ' HB2' ' A' ' 3' ' ' SER . 0.2 OUTLIER 64.98 135.46 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 112.302 -1.949 . . . . 0.0 106.135 -162.641 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.976 HD23 ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -74.21 62.74 0.95 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 124.602 2.144 . . . . 0.0 107.669 171.602 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.53 -20.63 39.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 123.91 1.814 . . . . 0.0 109.446 -165.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.469 ' HG2' ' C ' ' A' ' 48' ' ' FMT . 0.7 OUTLIER -139.42 -46.06 0.46 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 123.244 1.497 . . . . 0.0 108.408 172.671 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.976 ' CE2' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -58.26 128.32 36.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.612 170.804 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 9' ' ' PHE . 48.2 t -165.21 -53.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 122.465 1.126 . . . . 0.0 111.223 168.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -95.95 0.0 OUTLIER 'General case' 0 C--O 1.243 0.736 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.793 -171.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.61 -88.38 0.5 Allowed Glycine 0 C--N 1.318 -0.454 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 -172.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -172.27 52.24 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.627 0.727 . . . . 0.0 111.86 174.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.52 -2.85 0.74 Allowed 'General case' 0 C--O 1.249 1.038 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 174.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.15 57.49 0.78 Allowed 'General case' 0 C--N 1.317 -0.837 0 O-C-N 120.955 -1.091 . . . . 0.0 112.015 -174.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.7 64.59 0.99 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.882 0.849 . . . . 0.0 112.29 -173.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -69.78 -1.71 10.04 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 174.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.38 150.35 25.11 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.554 173.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmm -74.84 -83.53 0.06 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.185 0.993 . . . . 0.0 110.119 -174.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HG2' ' HB2' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -61.55 -172.12 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.51 1.148 . . . . 0.0 110.35 175.137 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.88 2.49 6.71 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 175.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.453 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -48.54 -55.51 10.87 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 121.332 -0.855 . . . . 0.0 112.599 -172.16 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -95.89 -78.4 0.46 Allowed 'General case' 0 C--O 1.242 0.662 0 O-C-N 121.908 -0.495 . . . . 0.0 109.927 -176.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 66.3 144.51 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 123.483 1.611 . . . . 0.0 112.999 174.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 170.68 161.02 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.095 173.37 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER 174.2 -69.21 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.299 1.047 . . . . 0.0 111.043 174.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -136.27 44.43 2.42 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.774 0.797 . . . . 0.0 111.109 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.96 86.11 1.78 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.822 0.82 . . . . 0.0 111.556 175.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -79.82 -132.07 0.02 OUTLIER 'General case' 0 C--O 1.249 1.051 0 O-C-N 121.732 -0.605 . . . . 0.0 110.547 -175.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -91.88 21.58 4.79 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.005 -1.059 . . . . 0.0 112.703 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 t -107.57 26.21 2.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 122.3 1.048 . . . . 0.0 110.267 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -119.1 -23.95 6.65 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -171.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -88.35 -44.59 10.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.032 0.92 . . . . 0.0 111.87 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.83 68.84 1.49 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.127 0.965 . . . . 0.0 110.27 -174.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.453 ' CG2' ' N ' ' A' ' 36' ' ' GLU . 3.7 t -80.42 -57.83 3.41 Favored 'General case' 0 C--O 1.25 1.094 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -171.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.0 OUTLIER -76.13 2.66 12.38 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -172.378 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 -84.35 -64.56 1.14 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 122.573 1.178 . . . . 0.0 110.456 173.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.598 HG22 ' CD1' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -69.35 -173.24 0.53 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.334 178.739 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.575 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 2.4 m 81.52 -63.63 0.16 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 124.23 1.967 . . . . 0.0 113.998 -172.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -71.4 0.08 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 124.557 2.123 . . . . 0.0 113.461 174.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -47.23 -58.22 4.32 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-N 112.828 -1.987 . . . . 0.0 113.777 -167.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CD1' HG22 ' A' ' 38' ' ' THR . 47.2 p-90 -69.9 -13.28 62.17 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 122.37 1.081 . . . . 0.0 113.084 -172.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.495 ' HD2' ' CH2' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -73.62 21.57 0.08 Allowed 'General case' 0 C--O 1.241 0.61 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 174.114 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.48 14.79 5.5 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.519 0.676 . . . . 0.0 111.983 170.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.72 12.6 0.89 Allowed 'General case' 0 C--O 1.247 0.944 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.44 114.93 5.83 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 122.032 0.92 . . . . 0.0 109.917 -173.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.27 2.176 0 CA-C-O 121.997 0.903 . . . . 0.0 110.936 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' FMT . . . . . 0.469 ' C ' ' HG2' ' A' ' 8' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.646 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.26 94.67 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.653 1.216 . . . . 0.0 113.373 173.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 6.5 mt -91.78 15.38 12.99 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.509 172.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 37.81 41.96 0.38 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 123.588 1.661 . . . . 0.0 109.408 -173.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 1.2 tpp180 -117.88 52.46 1.0 Allowed 'General case' 0 C--O 1.243 0.75 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -167.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.56 ' HG2' ' HD2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -91.43 -152.38 0.29 Allowed 'General case' 0 C--O 1.246 0.915 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 169.138 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.499 ' HB2' ' CA ' ' A' ' 22' ' ' LYS . 5.3 m -80.52 160.8 25.1 Favored 'General case' 0 C--O 1.258 1.502 0 O-C-N 121.442 -0.786 . . . . 0.0 109.415 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.5 ttm -65.89 -77.64 0.06 Allowed 'General case' 0 C--N 1.32 -0.707 0 O-C-N 119.935 -1.728 . . . . 0.0 110.517 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.53 -88.95 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.259 1.028 . . . . 0.0 111.586 -174.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.81 -3.68 20.19 Favored 'General case' 0 C--O 1.251 1.177 0 O-C-N 120.849 -1.157 . . . . 0.0 113.348 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.56 ' HD2' ' HG2' ' A' ' 17' ' ' GLU . 4.1 mmtm 48.82 23.21 0.64 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 122.11 0.957 . . . . 0.0 110.865 -173.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 58.3 m 49.81 75.77 0.16 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -167.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.9 p -74.12 14.01 0.48 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 -166.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 71.7 t80 94.78 76.58 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 127.087 2.155 . . . . 0.0 112.437 173.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 42.92 87.59 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.415 1.086 . . . . 0.0 113.69 172.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 51.11 25.13 2.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.36 0.6 . . . . 0.0 112.3 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -77.1 82.04 3.61 Favored 'General case' 0 C--O 1.252 1.21 0 C-N-CA 124.439 1.096 . . . . 0.0 111.496 173.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 10.9 tpt180 -58.61 -36.77 74.55 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 125.861 2.743 . . . . 0.0 106.47 167.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' HB1' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -143.73 -138.26 0.1 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 112.996 -1.911 . . . . 0.0 107.607 167.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.269 12.2 p -128.42 64.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 CA-C-O 128.461 3.982 . . . . 0.0 105.516 171.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.11 -89.68 0.08 Allowed 'General case' 0 C--O 1.251 1.143 0 CA-C-N 110.541 -3.027 . . . . 0.0 111.603 -170.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 46.1 mm-40 -77.07 92.67 3.77 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 120.968 -1.082 . . . . 0.0 110.992 -172.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER 160.42 -23.2 0.0 OUTLIER 'General case' 0 C--O 1.243 0.76 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.149 0 O-C-N 121.401 -0.812 . . . . 0.0 113.161 -171.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.595 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.722 ' O ' HD23 ' A' ' 14' ' ' LEU . 1.6 t-20 -91.73 81.92 5.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.27 1.033 . . . . 0.0 112.439 -173.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.722 HD23 ' O ' ' A' ' 13' ' ' ASN . 2.6 mt -141.93 -46.74 0.35 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.6 1.191 . . . . 0.0 110.41 173.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.67 30.46 1.69 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.443 1.116 . . . . 0.0 110.558 173.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.77 72.23 0.9 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.522 1.153 . . . . 0.0 111.078 -173.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.27 -6.38 13.69 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 122.758 1.266 . . . . 0.0 113.933 173.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.36 -179.77 8.48 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.884 173.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.9 mmt -85.23 -92.79 0.08 Allowed 'General case' 0 C--N 1.317 -0.813 0 O-C-N 120.645 -1.285 . . . . 0.0 109.644 173.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mp0 -61.41 177.24 0.39 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.869 1.319 . . . . 0.0 110.047 -176.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.44 13.87 0.54 Allowed 'General case' 0 C--O 1.249 1.037 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -50.2 15.67 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 121.182 -0.949 . . . . 0.0 110.721 -172.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.1 m -68.88 -70.95 0.24 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.71 0.767 . . . . 0.0 111.1 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.8 m 46.61 33.39 2.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 123.148 1.451 . . . . 0.0 109.502 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -86.0 165.01 17.04 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 123.383 1.563 . . . . 0.0 113.353 -171.148 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 7.3 mm-40 -134.05 -50.2 0.82 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.44 1.114 . . . . 0.0 109.957 173.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.545 ' HA ' ' CE2' ' A' ' 25' ' ' PHE . 18.9 mm-40 -148.07 13.32 0.99 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.877 172.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.4 101.64 4.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.202 1.001 . . . . 0.0 111.239 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.872 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.4 tpt180 -83.92 31.57 0.49 Allowed 'General case' 0 C--O 1.246 0.914 0 O-C-N 121.587 -0.695 . . . . 0.0 112.794 173.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 48.26 34.81 4.8 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 123.472 1.606 . . . . 0.0 109.59 -171.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 29' ' ' ARG . 70.1 t -134.5 20.08 1.19 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.651 0 CA-C-O 122.523 1.154 . . . . 0.0 111.47 -173.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.58 6.6 10.54 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 121.271 -0.893 . . . . 0.0 112.832 -173.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.56 10.92 1.44 Allowed 'General case' 0 C--O 1.244 0.775 0 O-C-N 121.386 -0.821 . . . . 0.0 112.687 173.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.35 -16.96 8.33 Favored 'General case' 0 C--O 1.244 0.814 0 O-C-N 121.444 -0.785 . . . . 0.0 112.58 -175.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.318 -0.783 0 CA-C-O 122.516 1.15 . . . . 0.0 110.903 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.412 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -170.8 73.15 0.06 Allowed 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 122.097 0.951 . . . . 0.0 111.567 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mt -145.08 -47.56 0.23 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.793 0.806 . . . . 0.0 112.13 -174.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.01 41.42 1.1 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.331 1.062 . . . . 0.0 111.241 -174.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.39 57.07 1.02 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.794 1.283 . . . . 0.0 110.058 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' CB ' ' HB2' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -54.25 179.55 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 122.901 1.334 . . . . 0.0 111.748 177.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 p -100.23 -84.56 0.42 Allowed 'General case' 0 C--O 1.271 2.195 0 O-C-N 121.097 -1.002 . . . . 0.0 113.148 -171.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.97 -75.5 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.822 0 O-C-N 119.494 -2.004 . . . . 0.0 113.294 -171.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -57.21 -75.34 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.55 1.167 . . . . 0.0 110.828 -174.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 24' ' ' SER . 2.6 mm-40 -72.84 8.82 1.34 Allowed 'General case' 0 C--O 1.252 1.236 0 O-C-N 121.026 -1.046 . . . . 0.0 113.253 171.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt 47.63 32.32 2.45 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 123.326 1.536 . . . . 0.0 109.003 -172.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.461 ' HB2' ' CB ' ' A' ' 17' ' ' GLU . 1.6 m 49.96 86.5 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 123.218 1.485 . . . . 0.0 107.843 -169.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.443 ' HB3' ' HB3' ' A' ' 21' ' ' GLU . 28.6 p -77.95 15.08 0.95 Allowed 'General case' 0 C--O 1.248 1.004 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -168.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -138.99 160.31 40.06 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 122.926 1.346 . . . . 0.0 112.768 -174.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER 174.05 -68.91 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.774 1.273 . . . . 0.0 110.202 173.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.32 12.03 2.79 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.324 1.059 . . . . 0.0 110.953 169.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.12 -80.74 0.07 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 124.149 1.928 . . . . 0.0 112.258 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.6 mtp-105 -63.18 -15.97 58.62 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-N 112.772 -2.013 . . . . 0.0 113.753 -172.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -85.06 14.19 5.29 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 31' ' ' VAL . 45.8 t -149.23 19.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.39 0.614 . . . . 0.0 112.135 173.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -105.43 45.11 0.98 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.259 1.028 . . . . 0.0 110.18 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 52.61 13.35 0.32 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.605 -173.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 32.06 37.61 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 123.326 1.536 . . . . 0.0 112.418 -174.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 CA--C 1.511 -0.547 0 O-C-N 120.994 -1.066 . . . . 0.0 112.487 -174.635 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.419 0 CA-C-O 121.877 0.709 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.52 75.08 0.36 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.858 0.837 . . . . 0.0 110.836 174.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.7 mt -109.35 -94.23 0.42 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.51 0.671 . . . . 0.0 112.062 -174.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.39 50.73 1.98 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.903 1.335 . . . . 0.0 110.279 -174.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.2 68.1 1.51 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.569 1.176 . . . . 0.0 109.064 -173.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.78 168.31 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 125.018 2.342 . . . . 0.0 114.605 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 m -80.12 142.52 34.73 Favored 'General case' 0 CA--C 1.513 -0.445 0 O-C-N 120.536 -1.353 . . . . 0.0 111.775 -171.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.5 mmm -59.1 -76.33 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.28 1.038 . . . . 0.0 111.17 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -60.53 -168.11 0.01 OUTLIER 'General case' 0 C--O 1.24 0.603 0 CA-C-O 122.838 1.304 . . . . 0.0 110.153 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -71.31 15.61 0.12 Allowed 'General case' 0 C--O 1.251 1.151 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 176.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -27.8 66.04 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.178 -0.951 . . . . 0.0 110.826 174.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.3 m -125.78 -77.03 0.58 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.594 0.711 . . . . 0.0 111.176 174.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -178.06 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.73 -0.606 . . . . 0.0 110.937 174.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.47 ' CE2' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 179.07 163.3 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.179 0.99 . . . . 0.0 113.452 174.258 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 2.2 mm-40 72.57 35.41 1.12 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.904 0.859 . . . . 0.0 109.629 -171.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 45.04 30.21 0.56 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.215 1.007 . . . . 0.0 110.086 -172.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.67 92.48 1.98 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 123.286 1.517 . . . . 0.0 114.778 -171.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' VAL . 8.0 mmm180 -75.91 120.58 21.46 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 104.502 -2.407 . . . . 0.0 104.502 162.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.86 75.81 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.876 0 O-C-N 125.622 1.826 . . . . 0.0 108.552 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.0 t -151.07 8.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.243 0.735 0 CA-C-N 115.055 -0.975 . . . . 0.0 113.608 -162.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.431 ' CG ' ' O ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -144.2 29.47 1.31 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 122.098 0.952 . . . . 0.0 113.406 -164.587 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -144.33 40.54 1.34 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.747 0.784 . . . . 0.0 111.495 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -128.18 -31.12 2.36 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.318 -0.776 0 CA-C-O 122.625 1.202 . . . . 0.0 110.937 -174.566 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.384 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.45 -26.51 0.0 OUTLIER 'General case' 0 C--O 1.244 0.792 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -142.65 34.19 1.43 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 122.268 1.032 . . . . 0.0 111.867 -174.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.93 14.24 31.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.47 0.652 . . . . 0.0 111.927 173.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 16' ' ' ARG . 11.1 tpp85 -117.23 24.8 10.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.743 0.783 . . . . 0.0 111.624 -174.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 45.22 80.2 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.731 0.777 . . . . 0.0 111.846 -174.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 1.2 m -151.04 94.32 2.04 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.917 0.865 . . . . 0.0 110.79 174.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.42 -61.57 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.012 0.91 . . . . 0.0 111.162 175.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -54.28 -70.51 0.1 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.464 1.126 . . . . 0.0 111.297 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 15.7 mm-40 -71.98 5.41 2.68 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 91.56 -35.38 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 125.929 1.692 . . . . 0.0 108.779 -171.604 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 179.45 66.14 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.184 171.018 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 p -41.01 107.51 0.07 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.02 0.914 . . . . 0.0 111.576 -172.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 15.3 p90 -131.12 -61.49 0.92 Allowed 'General case' 0 C--O 1.242 0.707 0 CA-C-O 122.296 1.046 . . . . 0.0 111.907 -173.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.611 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 7.7 mm-40 28.19 73.97 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 125.939 1.696 . . . . 0.0 113.308 -169.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 38.75 31.02 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 125.149 1.38 . . . . 0.0 114.136 174.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.94 88.55 3.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.053 0.93 . . . . 0.0 112.207 -174.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.632 ' HB3' HG23 ' A' ' 31' ' ' VAL . 4.4 ttp180 -81.53 -144.52 0.05 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 122.477 1.132 . . . . 0.0 109.429 173.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -97.02 31.84 2.3 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.526 1.631 . . . . 0.0 109.245 168.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 29' ' ' ARG . 12.2 t -123.43 21.34 4.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.896 -173.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -135.75 11.75 3.41 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -173.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -148.34 -44.74 0.15 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 122.381 1.086 . . . . 0.0 110.485 174.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.6 54.46 0.89 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.956 1.36 . . . . 0.0 110.295 174.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.565 HG23 ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.654 0 CA-C-O 122.879 1.323 . . . . 0.0 111.724 174.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.298 0 CA-C-O 122.174 0.874 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -124.35 119.7 30.0 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.06 0.934 . . . . 0.0 111.805 -174.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.36 150.05 30.9 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.789 0.804 . . . . 0.0 110.584 173.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 46.5 55.28 7.71 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 123.145 1.45 . . . . 0.0 110.197 -174.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.08 -8.77 44.88 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 114.958 -1.019 . . . . 0.0 113.496 -172.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 62.34 39.16 12.54 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.776 0.798 . . . . 0.0 111.069 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.6 61.84 0.82 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.892 0.853 . . . . 0.0 112.355 -173.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.6 mtp -144.07 -89.52 0.12 Allowed 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.599 -0.688 . . . . 0.0 110.43 173.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -52.83 62.93 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.785 1.279 . . . . 0.0 110.374 174.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -57.4 -20.94 33.02 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.865 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.57 26.38 12.73 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.105 0.955 . . . . 0.0 110.662 -174.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 74.99 82.33 0.1 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.965 1.364 . . . . 0.0 109.494 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.7 m -49.75 121.04 4.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.86 -171.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.522 ' C ' ' HG2' ' A' ' 26' ' ' GLU . 0.7 OUTLIER 174.39 171.42 0.22 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.051 0.929 . . . . 0.0 110.564 173.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.522 ' HG2' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER 61.61 18.28 9.38 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.076 -1.015 . . . . 0.0 111.113 -171.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.24 20.55 0.24 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 173.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.53 85.34 2.05 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.71 1.243 . . . . 0.0 110.258 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -143.91 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 122.363 1.078 . . . . 0.0 110.076 -173.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -96.98 31.9 2.27 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.835 1.303 . . . . 0.0 110.194 171.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 31' ' ' VAL . 61.9 t -116.7 20.46 6.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 122.329 1.062 . . . . 0.0 110.782 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.53 10.56 4.05 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.448 -172.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.53 11.59 17.12 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.311 -0.868 . . . . 0.0 111.715 172.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -103.68 47.7 0.87 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.405 1.098 . . . . 0.0 110.201 173.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.823 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -174.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.302 0 CA-C-O 122.085 0.825 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.521 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.0 m120 -73.55 -125.39 0.0 OUTLIER 'General case' 0 C--O 1.247 0.962 0 O-C-N 121.802 -0.822 . . . . 0.0 110.798 -175.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER 79.4 126.04 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.003 -1.061 . . . . 0.0 112.036 174.467 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 41.62 37.09 0.65 Allowed 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 124.07 0.948 . . . . 0.0 113.212 174.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.71 -54.64 2.04 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 121.806 -0.559 . . . . 0.0 111.269 -174.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 12.2 51.83 0.0 OUTLIER 'General case' 0 C--O 1.246 0.902 0 C-N-CA 127.053 2.141 . . . . 0.0 114.949 -172.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 13.3 t -155.3 88.27 1.15 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.259 1.028 . . . . 0.0 112.147 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.8 ttt -162.08 -75.24 0.05 OUTLIER 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.92 173.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -60.1 -53.02 62.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.831 0.825 . . . . 0.0 110.959 -177.233 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 3.1 mm-40 -69.81 -11.38 60.82 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 91.96 -36.23 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 126.15 1.78 . . . . 0.0 108.809 -172.305 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 177.45 37.76 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.087 0.946 . . . . 0.0 110.589 170.379 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 41.58 100.54 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 123.848 1.785 . . . . 0.0 113.929 176.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 32' ' ' PHE . 81.0 t80 74.28 139.79 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 120.686 -1.259 . . . . 0.0 110.633 174.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -44.92 122.4 3.24 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.363 1.065 . . . . 0.0 113.869 -171.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 35.99 40.54 0.1 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.965 1.364 . . . . 0.0 111.169 176.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.15 90.48 1.57 Allowed 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 122.826 1.298 . . . . 0.0 111.53 -171.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.557 ' HB3' HG23 ' A' ' 31' ' ' VAL . 8.3 ttt-85 -84.54 21.86 1.41 Allowed 'General case' 0 C--O 1.249 1.034 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -175.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 57.21 23.88 9.2 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.703 1.24 . . . . 0.0 110.0 -169.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.557 HG23 ' HB3' ' A' ' 29' ' ' ARG . 65.1 t -109.99 18.07 7.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 122.176 0.989 . . . . 0.0 110.97 -178.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -135.98 7.92 3.21 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -171.117 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.5 ' HG2' ' CD1' ' A' ' 32' ' ' PHE . 4.3 mm-40 -137.89 31.39 2.48 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.985 1.374 . . . . 0.0 109.595 172.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 164.2 55.97 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 123.669 1.699 . . . . 0.0 109.631 -172.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.972 0 CA-C-N 114.771 -1.104 . . . . 0.0 113.474 -170.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.4 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -80.41 -117.14 0.02 OUTLIER 'General case' 0 C--O 1.247 0.937 0 O-C-N 122.19 -0.594 . . . . 0.0 110.283 -177.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.3 mt 56.85 -93.14 0.04 OUTLIER 'General case' 0 C--O 1.248 0.975 0 O-C-N 121.586 -0.696 . . . . 0.0 111.76 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 pm0 -126.4 45.4 2.67 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 121.093 -1.005 . . . . 0.0 110.859 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -150.55 63.58 0.94 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.167 0.984 . . . . 0.0 110.755 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -68.3 -148.56 0.01 OUTLIER 'General case' 0 C--O 1.247 0.949 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.297 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 m -80.02 140.7 36.44 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.09 0.948 . . . . 0.0 110.444 -174.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mmm -62.98 -75.7 0.07 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.589 1.185 . . . . 0.0 111.22 -173.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.19 -168.84 0.01 OUTLIER 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.596 1.189 . . . . 0.0 110.003 175.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -70.49 11.02 0.39 Allowed 'General case' 0 C--O 1.251 1.174 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -44.01 64.15 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.194 0.997 . . . . 0.0 110.799 174.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.2 m -136.18 108.21 7.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.656 0.741 . . . . 0.0 110.831 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.0 p -144.34 105.93 4.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.961 0.886 . . . . 0.0 111.449 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -155.05 -42.59 0.08 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.389 0.614 . . . . 0.0 112.474 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.443 ' C ' ' HG2' ' A' ' 27' ' ' GLU . 3.3 pm0 -30.9 98.95 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 124.72 1.208 . . . . 0.0 113.812 -174.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HG2' ' C ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 33.33 67.76 0.18 Allowed 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 124.935 1.294 . . . . 0.0 113.196 178.005 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.47 99.77 3.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.587 0.708 . . . . 0.0 110.501 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -74.0 -31.89 63.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.761 0.791 . . . . 0.0 111.245 -174.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -91.31 22.87 3.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.499 0.666 . . . . 0.0 112.598 174.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.2 t -148.76 22.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 122.003 0.906 . . . . 0.0 111.079 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.18 -41.22 10.57 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.833 0.825 . . . . 0.0 111.81 -173.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -116.43 37.32 3.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.386 0.612 . . . . 0.0 111.727 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -148.23 -31.85 0.27 Allowed 'General case' 0 C--O 1.252 1.19 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.317 -0.822 0 O-C-N 121.029 -1.044 . . . . 0.0 111.572 -173.222 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.28 0 CA-C-O 122.256 0.92 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.3 62.69 1.51 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.064 0.935 . . . . 0.0 110.972 174.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.0 mt -92.0 -126.08 0.09 Allowed 'General case' 0 C--O 1.25 1.111 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.212 176.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' ARG . 3.9 mt-10 -93.78 41.62 1.09 Allowed 'General case' 0 C--N 1.317 -0.831 0 O-C-N 120.993 -1.067 . . . . 0.0 112.452 177.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER 26.33 59.6 0.07 Allowed 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 126.37 1.868 . . . . 0.0 110.953 171.086 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.409 ' HG2' ' H ' ' A' ' 17' ' ' GLU . 0.8 OUTLIER -42.15 164.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 123.486 1.612 . . . . 0.0 112.93 174.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -86.86 20.05 2.75 Favored 'General case' 0 C--O 1.245 0.846 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -173.655 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.523 ' CB ' ' O ' ' A' ' 18' ' ' CYS . 32.9 ttm 105.74 97.22 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 126.281 1.832 . . . . 0.0 107.327 -168.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.63 -50.13 4.13 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -173.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -35.05 72.12 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.716 0.77 . . . . 0.0 111.059 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -87.15 9.11 21.01 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 176.192 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.63 -77.38 0.53 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.348 1.071 . . . . 0.0 109.453 175.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.4 -170.63 0.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.942 173.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER 67.41 -88.07 0.03 OUTLIER 'General case' 0 C--O 1.243 0.735 0 C-N-CA 123.801 0.84 . . . . 0.0 112.402 173.084 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 3.3 mm-40 -28.24 122.65 0.11 Allowed 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 125.435 1.494 . . . . 0.0 114.175 -173.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 51.5 39.99 25.88 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.732 -0.605 . . . . 0.0 111.962 174.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.825 ' HB1' HG12 ' A' ' 31' ' ' VAL . . . -54.89 115.49 2.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.489 0.661 . . . . 0.0 110.074 174.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.41 ' H ' ' HG2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -79.96 -78.69 0.16 Allowed 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.493 0.663 . . . . 0.0 110.796 175.31 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.09 26.0 3.93 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.827 0.822 . . . . 0.0 112.254 -174.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.825 HG12 ' HB1' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -126.82 11.11 3.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 122.786 1.279 . . . . 0.0 111.583 173.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.21 -20.65 14.06 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.381 -0.824 . . . . 0.0 112.535 -173.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.41 15.92 2.8 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.75 -10.18 16.18 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.405 -0.809 . . . . 0.0 112.268 173.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.318 -0.763 0 CA-C-O 121.767 0.794 . . . . 0.0 111.494 175.175 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.276 0 CA-C-O 122.063 0.813 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 49.54 26.37 1.7 Allowed 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.926 -0.749 . . . . 0.0 111.236 -174.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt 45.06 56.51 5.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.084 0.945 . . . . 0.0 111.808 -175.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.422 ' HA ' ' NH2' ' A' ' 16' ' ' ARG . 10.7 mt-10 45.58 69.39 0.46 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 124.659 2.171 . . . . 0.0 110.736 -178.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.422 ' NH2' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -50.61 -14.79 0.21 Allowed 'General case' 0 C--O 1.25 1.096 0 CA-C-N 114.069 -1.423 . . . . 0.0 113.418 173.154 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.43 -164.44 0.06 Allowed 'General case' 0 C--N 1.318 -0.778 0 O-C-N 121.009 -1.057 . . . . 0.0 110.675 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 82.2 m -85.71 140.74 30.26 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.159 0.98 . . . . 0.0 111.248 -174.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mtm -62.67 -74.48 0.09 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.539 1.161 . . . . 0.0 110.743 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -167.87 0.01 OUTLIER 'General case' 0 C--O 1.241 0.645 0 CA-C-O 122.564 1.173 . . . . 0.0 109.809 174.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -71.11 3.97 3.08 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 114.498 1.295 . . . . 0.0 114.498 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -54.94 -28.61 52.44 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 121.201 -0.937 . . . . 0.0 111.329 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 46.1 m -133.14 -43.8 0.86 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.727 0.775 . . . . 0.0 111.263 174.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 p -142.84 135.04 27.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.646 0.736 . . . . 0.0 111.076 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -96.94 -81.06 0.43 Allowed 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.949 0.881 . . . . 0.0 110.624 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -130.31 -47.31 1.09 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 123.529 1.633 . . . . 0.0 109.331 173.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -143.88 47.44 1.44 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.533 1.159 . . . . 0.0 109.55 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.91 10.18 1.26 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -84.13 -75.02 0.36 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 122.848 1.308 . . . . 0.0 110.739 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.37 22.87 4.24 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.66 -174.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.817 HG13 HG23 ' A' ' 35' ' ' THR . 48.6 t -127.9 24.39 2.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 122.757 1.265 . . . . 0.0 110.451 173.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.11 90.46 2.75 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.309 1.052 . . . . 0.0 110.193 -173.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 64.78 32.34 11.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.695 0.759 . . . . 0.0 111.012 -172.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -177.3 46.89 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 123.024 1.393 . . . . 0.0 110.464 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.817 HG23 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.7 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -172.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.5 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.75 -173.59 2.33 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.069 -0.665 . . . . 0.0 110.961 176.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.634 HD13 ' OE2' ' A' ' 17' ' ' GLU . 0.1 OUTLIER 53.71 -146.13 0.56 Allowed 'General case' 0 C--O 1.256 1.437 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -172.615 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -70.65 -47.71 58.61 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 171.162 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER 128.82 27.45 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 127.835 2.454 . . . . 0.0 113.659 173.674 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.634 ' OE2' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER 37.51 -155.32 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.298 1.047 . . . . 0.0 111.683 -172.421 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.95 158.83 16.73 Favored 'General case' 0 C--O 1.244 0.802 0 O-C-N 121.53 -0.731 . . . . 0.0 109.833 171.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -88.93 0.09 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.976 0.893 . . . . 0.0 110.086 -174.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -174.63 0.06 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.459 1.123 . . . . 0.0 110.464 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -72.73 -1.63 17.18 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -51.9 -42.92 63.1 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.474 -0.766 . . . . 0.0 112.48 -172.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.81 -75.82 0.55 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.801 0.81 . . . . 0.0 112.316 -173.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.28 -174.02 0.16 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.696 0.76 . . . . 0.0 110.569 -173.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.471 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -179.22 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -174.242 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 25.1 mm-40 -23.99 -74.91 0.02 OUTLIER 'General case' 0 C--O 1.246 0.879 0 C-N-CA 125.872 1.669 . . . . 0.0 115.116 -171.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.646 ' O ' HG12 ' A' ' 31' ' ' VAL . 60.6 mm-40 -122.21 26.77 8.31 Favored 'General case' 0 C--O 1.248 0.99 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -171.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.95 4.11 8.89 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 173.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HG2' ' HG2' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -82.41 100.1 9.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 123.445 1.593 . . . . 0.0 110.219 -173.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HG2' ' HG2' ' A' ' 29' ' ' ARG . 1.6 mm-40 59.81 20.45 9.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 122.107 0.956 . . . . 0.0 112.532 174.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -131.73 7.89 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.431 1.11 . . . . 0.0 111.209 171.027 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -100.27 47.07 0.94 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 124.539 2.114 . . . . 0.0 109.107 -174.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 55.11 7.61 0.2 Allowed 'General case' 0 C--O 1.252 1.204 0 CA-C-N 114.038 -1.437 . . . . 0.0 113.793 -174.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 36.23 59.04 0.97 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 123.894 1.807 . . . . 0.0 108.484 -171.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.368 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -168.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.327 0 CA-C-O 122.38 0.989 . . . . 0.0 113.813 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.82 1.86 32.06 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 121.827 -0.808 . . . . 0.0 112.774 173.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -149.38 29.37 0.78 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 122.057 0.932 . . . . 0.0 111.9 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -126.27 26.56 6.41 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.748 1.261 . . . . 0.0 110.242 171.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.93 16.27 4.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.051 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -63.42 -118.8 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.472 -0.767 . . . . 0.0 109.12 171.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 23' ' ' CYS . 18.1 m -76.95 139.42 40.14 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 171.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.3 mtt -71.18 -88.94 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 122.518 1.152 . . . . 0.0 110.274 -170.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -60.38 170.42 1.35 Allowed 'General case' 0 C--O 1.245 0.85 0 CA-C-O 123.032 1.396 . . . . 0.0 109.198 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -74.45 14.91 0.4 Allowed 'General case' 0 C--O 1.25 1.096 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -85.44 -57.49 3.05 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.024 0.916 . . . . 0.0 111.599 -172.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -61.77 -67.45 0.41 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.618 0.723 . . . . 0.0 110.269 -176.075 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.3 p 47.82 78.05 0.08 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.488 0.661 . . . . 0.0 110.905 174.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -122.69 19.58 10.28 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -171.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -23.6 43.63 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.669 -0.644 . . . . 0.0 112.268 -173.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -128.73 58.35 1.58 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 122.666 1.222 . . . . 0.0 110.022 173.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.56 -151.15 0.02 OUTLIER 'General case' 0 C--O 1.242 0.705 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.698 -171.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.533 ' HA ' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -66.38 6.81 0.38 Allowed 'General case' 0 C--O 1.25 1.092 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -171.726 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.64 13.97 11.06 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 119.066 0.848 . . . . 0.0 112.553 171.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 31' ' ' VAL . 53.7 t -150.11 17.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.583 0.706 . . . . 0.0 110.802 -174.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.533 ' CD1' ' HA ' ' A' ' 29' ' ' ARG . 2.5 m-85 -88.05 -15.95 34.91 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.11 31.13 1.77 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.704 0.764 . . . . 0.0 110.236 173.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 46.98 41.01 10.29 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 123.892 1.806 . . . . 0.0 109.462 -172.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.852 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.564 -172.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.289 0 CA-C-O 121.964 0.758 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.29 -42.74 1.82 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.861 0.839 . . . . 0.0 111.232 174.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.4 10.38 2.08 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -174.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.03 27.04 9.39 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.325 -0.859 . . . . 0.0 111.514 174.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.11 19.14 6.5 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 121.908 -0.495 . . . . 0.0 112.273 -174.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 49.69 -147.99 0.3 Allowed 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.259 0.552 . . . . 0.0 110.378 -174.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.71 164.19 22.98 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.506 -0.746 . . . . 0.0 110.317 173.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.74 -85.23 0.09 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.104 0.954 . . . . 0.0 110.293 -174.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -175.74 0.05 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.592 1.187 . . . . 0.0 110.325 175.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -73.75 8.49 1.9 Allowed 'General case' 0 C--O 1.249 1.055 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -72.89 -39.32 66.49 Favored 'General case' 0 C--N 1.316 -0.864 0 O-C-N 121.069 -1.019 . . . . 0.0 111.201 -172.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.07 27.49 3.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.415 0.626 . . . . 0.0 112.124 176.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.1 p -110.43 62.16 0.6 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.998 0.904 . . . . 0.0 110.203 174.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.604 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 1.9 p90 -88.01 -86.27 0.17 Allowed 'General case' 0 C--O 1.253 1.242 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.227 -172.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.604 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 18.6 mm-40 36.29 50.16 0.72 Allowed 'General case' 0 C--N 1.315 -0.925 0 O-C-N 119.055 -2.278 . . . . 0.0 112.278 -165.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HG2' ' C ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER 66.45 7.89 5.34 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 172.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' ' 32' ' ' PHE . . . -77.58 81.02 4.05 Favored 'General case' 0 C--O 1.246 0.903 0 C-N-CA 124.28 1.032 . . . . 0.0 110.851 173.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -62.91 -84.78 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.01 0.91 . . . . 0.0 110.83 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -147.83 34.18 0.84 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.198 1.475 . . . . 0.0 109.679 173.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.785 HG12 HG23 ' A' ' 35' ' ' THR . 2.2 t -140.37 22.69 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.929 -173.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.411 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 14.7 t80 -126.2 50.43 1.89 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 122.59 1.186 . . . . 0.0 111.305 -170.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -175.53 -35.99 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.273 1.035 . . . . 0.0 111.046 174.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -129.58 64.85 1.49 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.886 0.85 . . . . 0.0 110.875 175.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.785 HG23 HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.033 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -173.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.365 0 CA-C-O 122.255 0.92 . . . . 0.0 113.318 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.423 ' ND2' ' HD2' ' A' ' 16' ' ' ARG . 11.3 m120 -148.58 109.87 4.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.69 0.757 . . . . 0.0 110.822 -175.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.8 mt -106.2 -53.78 2.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.247 1.023 . . . . 0.0 111.137 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.12 30.08 1.72 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.514 0.673 . . . . 0.0 112.389 -174.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HD2' ' ND2' ' A' ' 13' ' ' ASN . 3.7 mtt180 -115.32 -24.78 8.28 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.629 -0.669 . . . . 0.0 111.76 175.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -161.88 0.9 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.994 0.902 . . . . 0.0 110.635 174.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 30.1 m -83.53 136.47 34.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.837 0.827 . . . . 0.0 110.574 173.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -80.55 0.08 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.218 1.008 . . . . 0.0 110.939 -175.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -59.58 -172.5 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.521 1.153 . . . . 0.0 110.184 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -72.69 14.38 0.27 Allowed 'General case' 0 C--O 1.251 1.151 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -46.45 68.51 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.193 -0.942 . . . . 0.0 111.229 -178.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 3.1 m -121.45 -23.32 5.68 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -175.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.424 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 79.8 p -49.74 107.38 0.15 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.556 0.693 . . . . 0.0 111.385 -174.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.461 ' CD2' ' HG2' ' A' ' 26' ' ' GLU . 5.4 p90 45.8 -161.22 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 123.743 0.817 . . . . 0.0 111.429 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.461 ' HG2' ' CD2' ' A' ' 25' ' ' PHE . 2.8 mm-40 67.04 120.86 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.135 0.969 . . . . 0.0 110.394 -173.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 50.28 68.45 0.76 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.591 1.186 . . . . 0.0 110.26 -173.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.45 177.67 0.18 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 127.106 3.336 . . . . 0.0 115.331 -173.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.538 ' C ' ' H ' ' A' ' 31' ' ' VAL . 29.5 mtm180 -82.39 112.15 19.09 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 109.07 -3.696 . . . . 0.0 111.807 -169.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -83.98 36.99 0.58 Allowed 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 128.218 3.866 . . . . 0.0 102.834 147.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.538 ' H ' ' C ' ' A' ' 29' ' ' ARG . 53.6 t -147.5 12.92 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 129.378 3.071 . . . . 0.0 112.125 -158.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 28.8 m-85 -89.4 14.89 10.17 Favored 'General case' 0 C--O 1.243 0.719 0 O-C-N 120.83 -1.169 . . . . 0.0 112.418 -169.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.432 ' H ' ' HG2' ' A' ' 33' ' ' GLU . 0.5 OUTLIER -120.89 -47.48 2.29 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.796 1.284 . . . . 0.0 110.296 177.313 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -112.43 77.81 1.08 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.185 0.993 . . . . 0.0 110.003 174.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.245 0.848 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -171.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.39 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -172.27 52.24 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.627 0.727 . . . . 0.0 111.86 174.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.52 -2.85 0.74 Allowed 'General case' 0 C--O 1.249 1.038 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 174.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.15 57.49 0.78 Allowed 'General case' 0 C--N 1.317 -0.837 0 O-C-N 120.955 -1.091 . . . . 0.0 112.015 -174.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.7 64.59 0.99 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.882 0.849 . . . . 0.0 112.29 -173.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -69.78 -1.71 10.04 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 174.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.38 150.35 25.11 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.554 173.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmm -74.84 -83.53 0.06 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.185 0.993 . . . . 0.0 110.119 -174.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HG2' ' HB2' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -61.55 -172.12 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.51 1.148 . . . . 0.0 110.35 175.137 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.88 2.49 6.71 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 175.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.453 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -48.54 -55.51 10.87 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 121.332 -0.855 . . . . 0.0 112.599 -172.16 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -95.89 -78.4 0.46 Allowed 'General case' 0 C--O 1.242 0.662 0 O-C-N 121.908 -0.495 . . . . 0.0 109.927 -176.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 66.3 144.51 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 123.483 1.611 . . . . 0.0 112.999 174.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 170.68 161.02 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.095 173.37 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.483 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER 174.2 -69.21 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.299 1.047 . . . . 0.0 111.043 174.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -136.27 44.43 2.42 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.774 0.797 . . . . 0.0 111.109 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.96 86.11 1.78 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.822 0.82 . . . . 0.0 111.556 175.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -79.82 -132.07 0.02 OUTLIER 'General case' 0 C--O 1.249 1.051 0 O-C-N 121.732 -0.605 . . . . 0.0 110.547 -175.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -91.88 21.58 4.79 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.005 -1.059 . . . . 0.0 112.703 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 t -107.57 26.21 2.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 122.3 1.048 . . . . 0.0 110.267 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -119.1 -23.95 6.65 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -171.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -88.35 -44.59 10.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.032 0.92 . . . . 0.0 111.87 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.83 68.84 1.49 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.127 0.965 . . . . 0.0 110.27 -174.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.25 1.094 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -171.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.9 t80 . . . . . 0 CA--C 1.511 -0.529 0 CA-C-O 121.965 0.888 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.08 82.01 0.12 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.186 0.993 . . . . 0.0 111.493 174.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.54 ' CB ' ' HA ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -135.54 52.6 2.0 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.359 1.076 . . . . 0.0 109.725 172.76 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.6 90.98 0.01 OUTLIER Glycine 0 N--CA 1.473 1.153 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 172.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.51 103.58 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 103.493 -2.78 . . . . 0.0 103.493 -165.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.54 ' HA ' ' CB ' ' A' ' 3' ' ' SER . 1.7 mp -54.41 99.71 0.03 OUTLIER 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 125.959 2.79 . . . . 0.0 111.601 -158.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.535 ' C ' ' C ' ' A' ' 48' ' ' FMT . 2.5 pt-20 -77.5 -28.49 52.18 Favored 'General case' 0 C--O 1.243 0.728 0 O-C-N 120.101 -1.624 . . . . 0.0 110.617 -170.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -98.02 62.58 1.57 Allowed 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 169.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -79.9 -159.0 0.19 Allowed 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 117.776 2.51 . . . . 0.0 117.776 -162.647 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.11 122.54 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-O 124.618 2.151 . . . . 0.0 106.941 -170.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -81.5 100.62 9.43 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 113.164 -1.834 . . . . 0.0 113.648 -163.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.13 -55.08 0.18 Allowed Glycine 0 N--CA 1.466 0.646 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 173.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.26 94.67 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.653 1.216 . . . . 0.0 113.373 173.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 6.5 mt -91.78 15.38 12.99 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.509 172.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 37.81 41.96 0.38 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 123.588 1.661 . . . . 0.0 109.408 -173.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 1.2 tpp180 -117.88 52.46 1.0 Allowed 'General case' 0 C--O 1.243 0.75 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -167.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.56 ' HG2' ' HD2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -91.43 -152.38 0.29 Allowed 'General case' 0 C--O 1.246 0.915 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 169.138 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.499 ' HB2' ' CA ' ' A' ' 22' ' ' LYS . 5.3 m -80.52 160.8 25.1 Favored 'General case' 0 C--O 1.258 1.502 0 O-C-N 121.442 -0.786 . . . . 0.0 109.415 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.5 ttm -65.89 -77.64 0.06 Allowed 'General case' 0 C--N 1.32 -0.707 0 O-C-N 119.935 -1.728 . . . . 0.0 110.517 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.53 -88.95 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.259 1.028 . . . . 0.0 111.586 -174.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.81 -3.68 20.19 Favored 'General case' 0 C--O 1.251 1.177 0 O-C-N 120.849 -1.157 . . . . 0.0 113.348 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.56 ' HD2' ' HG2' ' A' ' 17' ' ' GLU . 4.1 mmtm 48.82 23.21 0.64 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 122.11 0.957 . . . . 0.0 110.865 -173.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 58.3 m 49.81 75.77 0.16 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -167.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.9 p -74.12 14.01 0.48 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 -166.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.57 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 71.7 t80 94.78 76.58 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 127.087 2.155 . . . . 0.0 112.437 173.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 42.92 87.59 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 124.415 1.086 . . . . 0.0 113.69 172.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 51.11 25.13 2.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.36 0.6 . . . . 0.0 112.3 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -77.1 82.04 3.61 Favored 'General case' 0 C--O 1.252 1.21 0 C-N-CA 124.439 1.096 . . . . 0.0 111.496 173.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 29' ' ' ARG . 10.9 tpt180 -58.61 -36.77 74.55 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 125.861 2.743 . . . . 0.0 106.47 167.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' HB1' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -143.73 -138.26 0.1 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 112.996 -1.911 . . . . 0.0 107.607 167.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.269 12.2 p -128.42 64.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 CA-C-O 128.461 3.982 . . . . 0.0 105.516 171.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.11 -89.68 0.08 Allowed 'General case' 0 C--O 1.251 1.143 0 CA-C-N 110.541 -3.027 . . . . 0.0 111.603 -170.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 46.1 mm-40 -77.07 92.67 3.77 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 120.968 -1.082 . . . . 0.0 110.992 -172.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER 160.42 -23.2 0.0 OUTLIER 'General case' 0 C--O 1.243 0.76 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -172.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.57 -25.97 68.48 Favored 'General case' 0 C--O 1.251 1.149 0 O-C-N 121.401 -0.812 . . . . 0.0 113.161 -171.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.62 6.86 9.53 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -174.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.91 -63.61 1.3 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.341 1.067 . . . . 0.0 112.136 175.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.418 HG22 ' CD1' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -66.74 -160.94 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.7 -1.136 . . . . 0.0 111.713 -168.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.522 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 85.9 m 54.29 -77.75 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 126.355 1.862 . . . . 0.0 113.889 -169.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.03 -63.65 1.08 Allowed 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 176.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -48.04 -55.95 8.9 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.954 1.359 . . . . 0.0 112.269 -171.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.522 ' NE1' ' HA ' ' A' ' 39' ' ' THR . 41.4 p-90 -76.47 -12.84 60.11 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.013 -0.994 . . . . 0.0 113.492 -172.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HD2' ' CZ2' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -73.42 17.7 0.14 Allowed 'General case' 0 C--O 1.241 0.638 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 176.775 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.39 9.88 4.4 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 122.746 1.26 . . . . 0.0 112.181 169.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -150.19 29.52 0.72 Allowed 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 124.351 1.06 . . . . 0.0 109.7 176.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.58 130.88 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 122.842 1.306 . . . . 0.0 110.807 -170.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.178 0 CA-C-O 122.04 0.924 . . . . 0.0 110.999 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' FMT . . . . . 0.535 ' C ' ' C ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.5 p90 . . . . . 0 CA--C 1.511 -0.535 0 CA-C-O 121.91 0.862 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 47.17 68.99 0.55 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.407 1.099 . . . . 0.0 111.186 -176.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.469 ' HB2' ' CD2' ' A' ' 6' ' ' LEU . 16.9 p 58.82 45.45 15.43 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.817 173.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.96 79.54 1.0 Allowed Glycine 0 N--CA 1.482 1.702 0 N-CA-C 104.129 -3.588 . . . . 0.0 104.129 166.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp 68.17 147.16 0.05 Allowed 'General case' 0 C--O 1.247 0.932 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 -162.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.105 HD22 ' CE1' ' A' ' 9' ' ' PHE . 6.0 mt -80.27 55.36 2.2 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 124.561 2.124 . . . . 0.0 108.516 169.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.539 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 0.7 OUTLIER -80.19 -17.32 52.69 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 125.911 1.684 . . . . 0.0 110.022 -167.531 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.539 ' HG2' ' HG2' ' A' ' 7' ' ' GLU . 3.9 pt-20 -168.52 77.23 0.13 Allowed 'General case' 0 N--CA 1.469 0.509 0 O-C-N 120.111 -1.618 . . . . 0.0 109.413 173.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 1.105 ' CE1' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -60.99 -170.86 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 -163.329 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -39.04 129.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-O 125.579 2.609 . . . . 0.0 110.119 -160.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -88.95 -38.31 14.57 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 112.716 -2.038 . . . . 0.0 111.143 -169.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.31 51.81 0.02 OUTLIER Glycine 0 N--CA 1.465 0.595 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -174.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.722 ' O ' HD23 ' A' ' 14' ' ' LEU . 1.6 t-20 -91.73 81.92 5.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.27 1.033 . . . . 0.0 112.439 -173.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.722 HD23 ' O ' ' A' ' 13' ' ' ASN . 2.6 mt -141.93 -46.74 0.35 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.6 1.191 . . . . 0.0 110.41 173.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.67 30.46 1.69 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.443 1.116 . . . . 0.0 110.558 173.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.77 72.23 0.9 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.522 1.153 . . . . 0.0 111.078 -173.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.27 -6.38 13.69 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 122.758 1.266 . . . . 0.0 113.933 173.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.36 -179.77 8.48 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.884 173.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.9 mmt -85.23 -92.79 0.08 Allowed 'General case' 0 C--N 1.317 -0.813 0 O-C-N 120.645 -1.285 . . . . 0.0 109.644 173.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mp0 -61.41 177.24 0.39 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.869 1.319 . . . . 0.0 110.047 -176.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.44 13.87 0.54 Allowed 'General case' 0 C--O 1.249 1.037 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -50.2 15.67 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 121.182 -0.949 . . . . 0.0 110.721 -172.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.1 m -68.88 -70.95 0.24 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.71 0.767 . . . . 0.0 111.1 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.8 m 46.61 33.39 2.02 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 123.148 1.451 . . . . 0.0 109.502 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -86.0 165.01 17.04 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 123.383 1.563 . . . . 0.0 113.353 -171.148 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 7.3 mm-40 -134.05 -50.2 0.82 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.44 1.114 . . . . 0.0 109.957 173.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.545 ' HA ' ' CE2' ' A' ' 25' ' ' PHE . 18.9 mm-40 -148.07 13.32 0.99 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.877 172.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.4 101.64 4.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.202 1.001 . . . . 0.0 111.239 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.872 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.4 tpt180 -83.92 31.57 0.49 Allowed 'General case' 0 C--O 1.246 0.914 0 O-C-N 121.587 -0.695 . . . . 0.0 112.794 173.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 48.26 34.81 4.8 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 123.472 1.606 . . . . 0.0 109.59 -171.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 29' ' ' ARG . 70.1 t -134.5 20.08 1.19 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.651 0 CA-C-O 122.523 1.154 . . . . 0.0 111.47 -173.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.58 6.6 10.54 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 121.271 -0.893 . . . . 0.0 112.832 -173.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.56 10.92 1.44 Allowed 'General case' 0 C--O 1.244 0.775 0 O-C-N 121.386 -0.821 . . . . 0.0 112.687 173.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.35 -16.96 8.33 Favored 'General case' 0 C--O 1.244 0.814 0 O-C-N 121.444 -0.785 . . . . 0.0 112.58 -175.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.17 -28.52 62.26 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 122.516 1.15 . . . . 0.0 110.903 174.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -83.94 25.63 0.79 Allowed 'General case' 0 C--O 1.243 0.757 0 O-C-N 121.163 -0.96 . . . . 0.0 112.974 174.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -44.45 96.7 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.466 -0.771 . . . . 0.0 111.348 -174.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.519 HG22 ' H ' ' A' ' 39' ' ' THR . 0.2 OUTLIER -58.15 -178.49 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.831 -173.652 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.576 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 1.3 m 81.83 -61.94 0.18 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 124.287 1.994 . . . . 0.0 111.839 -168.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -76.07 -38.55 56.93 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 113.683 -1.599 . . . . 0.0 113.777 -172.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -54.15 -49.45 69.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 123.017 1.389 . . . . 0.0 110.474 -173.547 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.576 ' NE1' ' HA ' ' A' ' 39' ' ' THR . 61.3 p-90 -81.07 -12.77 59.23 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.778 1.275 . . . . 0.0 112.119 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HD2' ' CZ3' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -71.95 18.8 0.08 Allowed 'General case' 0 C--O 1.24 0.567 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 173.576 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -107.63 17.43 22.64 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 122.328 1.061 . . . . 0.0 111.06 171.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -131.45 -34.17 1.4 Allowed 'General case' 0 C--O 1.247 0.968 0 O-C-N 120.992 -1.067 . . . . 0.0 113.034 -174.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.555 ' O ' ' OXT' ' A' ' 47' ' ' ASP . 32.9 m -60.06 99.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 122.015 0.912 . . . . 0.0 110.483 -176.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 1.225 ' OXT' ' CA ' ' A' ' 47' ' ' ASP . 1.5 p30 . . . . . 0 C--O 1.27 2.182 0 CA-C-O 122.011 0.91 . . . . 0.0 111.004 -174.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' FMT . . . . . 0.416 ' C ' ' HG2' ' A' ' 8' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.429 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.58 0 CA-C-O 121.769 0.795 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -178.69 -36.55 0.01 OUTLIER 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.365 0.603 . . . . 0.0 111.683 -176.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.522 ' HB3' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER 62.36 165.19 0.1 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.087 0.946 . . . . 0.0 110.523 -174.394 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.65 -69.26 0.22 Allowed Glycine 0 N--CA 1.464 0.547 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 173.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.67 -43.12 18.97 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 122.597 1.189 . . . . 0.0 110.088 172.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.553 HD23 ' CE2' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -81.41 39.35 0.52 Allowed 'General case' 0 C--O 1.252 1.226 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 174.267 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.455 ' HA ' ' HB2' ' A' ' 3' ' ' SER . 0.2 OUTLIER -60.28 107.32 0.64 Allowed 'General case' 0 C--N 1.319 -0.73 0 O-C-N 120.415 -1.428 . . . . 0.0 109.338 172.131 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 50.95 79.86 0.09 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.594 1.188 . . . . 0.0 108.303 -170.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.553 ' CE2' HD23 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -68.52 -155.56 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 113.85 1.055 . . . . 0.0 113.85 -169.195 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -54.03 129.54 15.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-O 125.171 2.415 . . . . 0.0 107.345 -166.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -84.94 -84.55 0.15 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 112.798 -2.001 . . . . 0.0 113.901 -163.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.58 -110.62 3.1 Favored Glycine 0 C--N 1.318 -0.422 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 -172.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -170.8 73.15 0.06 Allowed 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 122.097 0.951 . . . . 0.0 111.567 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mt -145.08 -47.56 0.23 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.793 0.806 . . . . 0.0 112.13 -174.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.01 41.42 1.1 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.331 1.062 . . . . 0.0 111.241 -174.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.39 57.07 1.02 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.794 1.283 . . . . 0.0 110.058 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' CB ' ' HB2' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -54.25 179.55 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.571 0 CA-C-O 122.901 1.334 . . . . 0.0 111.748 177.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 p -100.23 -84.56 0.42 Allowed 'General case' 0 C--O 1.271 2.195 0 O-C-N 121.097 -1.002 . . . . 0.0 113.148 -171.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.97 -75.5 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.822 0 O-C-N 119.494 -2.004 . . . . 0.0 113.294 -171.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -57.21 -75.34 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.55 1.167 . . . . 0.0 110.828 -174.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 24' ' ' SER . 2.6 mm-40 -72.84 8.82 1.34 Allowed 'General case' 0 C--O 1.252 1.236 0 O-C-N 121.026 -1.046 . . . . 0.0 113.253 171.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt 47.63 32.32 2.45 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 123.326 1.536 . . . . 0.0 109.003 -172.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.461 ' HB2' ' CB ' ' A' ' 17' ' ' GLU . 1.6 m 49.96 86.5 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 123.218 1.485 . . . . 0.0 107.843 -169.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.443 ' HB3' ' HB3' ' A' ' 21' ' ' GLU . 28.6 p -77.95 15.08 0.95 Allowed 'General case' 0 C--O 1.248 1.004 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -168.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -138.99 160.31 40.06 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 122.926 1.346 . . . . 0.0 112.768 -174.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER 174.05 -68.91 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.774 1.273 . . . . 0.0 110.202 173.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.32 12.03 2.79 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.324 1.059 . . . . 0.0 110.953 169.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.12 -80.74 0.07 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 124.149 1.928 . . . . 0.0 112.258 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.6 mtp-105 -63.18 -15.97 58.62 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-N 112.772 -2.013 . . . . 0.0 113.753 -172.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -85.06 14.19 5.29 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' O ' HG12 ' A' ' 31' ' ' VAL . 45.8 t -149.23 19.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.39 0.614 . . . . 0.0 112.135 173.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 m-30 -105.43 45.11 0.98 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.259 1.028 . . . . 0.0 110.18 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 52.61 13.35 0.32 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.605 -173.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 32.06 37.61 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 123.326 1.536 . . . . 0.0 112.418 -174.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 t -82.64 -56.29 3.95 Favored 'General case' 0 CA--C 1.511 -0.547 0 O-C-N 120.994 -1.066 . . . . 0.0 112.487 -174.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -82.26 24.94 0.63 Allowed 'General case' 0 C--O 1.253 1.244 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -170.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.551 ' CG ' ' N ' ' A' ' 38' ' ' THR . 1.2 ttp180 -80.78 -95.85 0.04 OUTLIER 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 121.752 0.787 . . . . 0.0 111.153 174.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.551 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -76.61 150.96 36.4 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.449 1.119 . . . . 0.0 111.516 -168.228 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.502 ' HA ' ' CE2' ' A' ' 42' ' ' TRP . 2.3 m 124.21 -30.7 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.029 0 C-N-CA 130.255 3.422 . . . . 0.0 109.263 169.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.83 -63.32 1.41 Allowed 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 125.22 2.438 . . . . 0.0 112.717 171.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.467 ' CE2' ' HG3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -50.24 -67.65 0.24 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-O 124.812 2.244 . . . . 0.0 113.067 -172.105 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.502 ' CE2' ' HA ' ' A' ' 39' ' ' THR . 44.7 p-90 -71.43 -12.52 61.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.479 -1.692 . . . . 0.0 111.224 -167.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.59 19.4 0.14 Allowed 'General case' 0 C--O 1.24 0.591 0 O-C-N 120.047 -1.658 . . . . 0.0 115.257 171.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.62 14.34 8.13 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.814 0.816 . . . . 0.0 110.72 169.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -148.92 6.29 0.69 Allowed 'General case' 0 C--O 1.252 1.201 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -173.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.657 ' O ' HG22 ' A' ' 46' ' ' VAL . 6.9 p -72.9 13.1 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 119.22 0.918 . . . . 0.0 113.378 -172.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 . . . . . 0 C--O 1.271 2.204 0 O-C-N 120.767 -1.208 . . . . 0.0 110.973 173.682 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 13.8 t80 . . . . . 0 C--O 1.244 0.775 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.88 98.24 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 122.307 1.051 . . . . 0.0 112.976 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.64 146.77 24.9 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.742 0.782 . . . . 0.0 110.364 173.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.86 -102.63 2.59 Favored Glycine 0 C--N 1.319 -0.381 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 175.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -55.11 -38.62 68.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.413 0.625 . . . . 0.0 110.702 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.95 62.9 6.76 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 121.667 0.746 . . . . 0.0 110.67 171.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.89 -64.13 1.2 Allowed 'General case' 0 C--O 1.26 1.621 0 O-C-N 120.386 -1.446 . . . . 0.0 110.624 -171.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.6 -76.28 0.26 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 168.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.416 ' HB3' ' HG3' ' A' ' 11' ' ' GLN . 0.8 OUTLIER 178.21 140.01 0.09 Allowed 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 124.524 2.107 . . . . 0.0 112.897 159.418 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -29.43 -39.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.617 0 C-N-CA 126.128 1.771 . . . . 0.0 113.544 173.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.416 ' HG3' ' HB3' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -68.02 94.94 0.52 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.726 0.774 . . . . 0.0 110.528 -174.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.41 91.44 0.09 OUTLIER Glycine 0 C--O 1.239 0.419 0 CA-C-O 121.877 0.709 . . . . 0.0 112.159 178.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -163.52 75.08 0.36 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.858 0.837 . . . . 0.0 110.836 174.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.7 mt -109.35 -94.23 0.42 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.51 0.671 . . . . 0.0 112.062 -174.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.39 50.73 1.98 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.903 1.335 . . . . 0.0 110.279 -174.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.2 68.1 1.51 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.569 1.176 . . . . 0.0 109.064 -173.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.78 168.31 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 125.018 2.342 . . . . 0.0 114.605 177.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 m -80.12 142.52 34.73 Favored 'General case' 0 CA--C 1.513 -0.445 0 O-C-N 120.536 -1.353 . . . . 0.0 111.775 -171.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.5 mmm -59.1 -76.33 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.28 1.038 . . . . 0.0 111.17 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -60.53 -168.11 0.01 OUTLIER 'General case' 0 C--O 1.24 0.603 0 CA-C-O 122.838 1.304 . . . . 0.0 110.153 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -71.31 15.61 0.12 Allowed 'General case' 0 C--O 1.251 1.151 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 176.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -27.8 66.04 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.178 -0.951 . . . . 0.0 110.826 174.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.3 m -125.78 -77.03 0.58 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.594 0.711 . . . . 0.0 111.176 174.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -178.06 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.73 -0.606 . . . . 0.0 110.937 174.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.529 ' CE2' ' C ' ' A' ' 54' ' ' FMT . 0.0 OUTLIER 179.07 163.3 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.179 0.99 . . . . 0.0 113.452 174.258 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 2.2 mm-40 72.57 35.41 1.12 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.904 0.859 . . . . 0.0 109.629 -171.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 45.04 30.21 0.56 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.215 1.007 . . . . 0.0 110.086 -172.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.67 92.48 1.98 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 123.286 1.517 . . . . 0.0 114.778 -171.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' VAL . 8.0 mmm180 -75.91 120.58 21.46 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 104.502 -2.407 . . . . 0.0 104.502 162.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.86 75.81 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.876 0 O-C-N 125.622 1.826 . . . . 0.0 108.552 171.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' ARG . 3.0 t -151.07 8.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.243 0.735 0 CA-C-N 115.055 -0.975 . . . . 0.0 113.608 -162.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.431 ' CG ' ' O ' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -144.2 29.47 1.31 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 122.098 0.952 . . . . 0.0 113.406 -164.587 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -144.33 40.54 1.34 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.747 0.784 . . . . 0.0 111.495 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -128.18 -31.12 2.36 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.9 t -77.0 -32.44 57.17 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 122.625 1.202 . . . . 0.0 110.937 -174.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -84.65 28.45 0.67 Allowed 'General case' 0 C--O 1.242 0.704 0 O-C-N 121.074 -1.016 . . . . 0.0 112.472 174.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -50.69 71.61 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 121.667 -0.646 . . . . 0.0 111.993 -173.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.416 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.7 OUTLIER -59.26 133.44 56.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 122.347 1.07 . . . . 0.0 112.152 -170.155 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.511 ' N ' ' HE1' ' A' ' 42' ' ' TRP . 0.8 OUTLIER 150.05 -48.04 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 128.505 2.722 . . . . 0.0 108.297 172.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -78.62 -56.05 4.72 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 112.205 -2.27 . . . . 0.0 112.773 -174.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -54.17 15.49 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 123.238 1.494 . . . . 0.0 110.616 -174.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.511 ' HE1' ' N ' ' A' ' 39' ' ' THR . 70.3 p-90 -84.63 -11.71 55.42 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.734 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.25 -8.97 0.56 Allowed 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.151 -1.42 . . . . 0.0 110.429 171.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.443 ' N ' ' C ' ' A' ' 42' ' ' TRP 0.454 26.0 mt-30 -64.89 -101.41 0.0 OUTLIER 'General case' 0 C--O 1.253 1.248 0 N-CA-C 100.319 -3.956 . . . . 0.0 100.319 156.282 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.427 ' HB2' ' OXT' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -152.41 140.92 20.72 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 122.104 2.229 . . . . 0.0 114.858 166.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.46 6.45 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.652 0 O-C-N 121.086 -1.009 . . . . 0.0 113.189 168.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' OXT' ' HB2' ' A' ' 45' ' ' TYR . 22.8 t0 . . . . . 0 C--O 1.27 2.18 0 CA-C-O 122.108 0.956 . . . . 0.0 111.201 -172.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' FMT . . . . . 0.529 ' C ' ' CE2' ' A' ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.404 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 50.5 t80 . . . . . 0 C--O 1.244 0.794 0 CA-C-O 121.059 0.457 . . . . 0.0 111.573 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -44.2 -26.34 0.3 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.706 0.765 . . . . 0.0 110.823 173.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.431 ' OG ' HD12 ' A' ' 6' ' ' LEU . 4.0 m -160.52 -99.12 0.02 OUTLIER 'General case' 0 C--O 1.242 0.71 0 O-C-N 121.936 -0.478 . . . . 0.0 110.665 172.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 5' ' ' LYS . . . 66.38 139.11 0.04 OUTLIER Glycine 0 C--N 1.32 -0.358 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 -172.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 4' ' ' GLY . 0.0 OUTLIER 80.82 -16.44 0.65 Allowed 'General case' 0 C--O 1.248 1.007 0 C-N-CA 124.441 1.096 . . . . 0.0 111.3 -176.095 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -83.27 51.4 1.96 Allowed 'General case' 0 C--N 1.316 -0.866 0 O-C-N 120.899 -1.126 . . . . 0.0 109.767 168.742 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.494 ' C ' ' C ' ' A' ' 48' ' ' FMT . 1.8 pt-20 -67.26 -27.99 67.66 Favored 'General case' 0 C--O 1.272 2.277 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -163.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -58.39 -59.29 5.58 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 168.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.549 ' CD2' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER 91.66 146.62 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.932 1 N-CA-C 122.494 4.257 . . . . 0.0 122.494 156.683 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -27.14 -57.25 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.679 0 C-N-CA 129.557 3.143 . . . . 0.0 112.382 165.068 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.52 ' N ' HG12 ' A' ' 10' ' ' VAL . 1.4 pt20 -65.8 138.79 58.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.35 1.072 . . . . 0.0 111.616 -173.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.55 128.86 6.44 Favored Glycine 0 N--CA 1.462 0.384 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -177.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.45 -26.51 0.0 OUTLIER 'General case' 0 C--O 1.244 0.792 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pp -142.65 34.19 1.43 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 122.268 1.032 . . . . 0.0 111.867 -174.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.93 14.24 31.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.47 0.652 . . . . 0.0 111.927 173.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 16' ' ' ARG . 11.1 tpp85 -117.23 24.8 10.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.743 0.783 . . . . 0.0 111.624 -174.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 45.22 80.2 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.731 0.777 . . . . 0.0 111.846 -174.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 1.2 m -151.04 94.32 2.04 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.917 0.865 . . . . 0.0 110.79 174.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.42 -61.57 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.012 0.91 . . . . 0.0 111.162 175.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -54.28 -70.51 0.1 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.464 1.126 . . . . 0.0 111.297 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 15.7 mm-40 -71.98 5.41 2.68 Favored 'General case' 0 C--O 1.244 0.768 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 91.56 -35.38 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 125.929 1.692 . . . . 0.0 108.779 -171.604 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 179.45 66.14 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.184 171.018 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 p -41.01 107.51 0.07 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.02 0.914 . . . . 0.0 111.576 -172.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 15.3 p90 -131.12 -61.49 0.92 Allowed 'General case' 0 C--O 1.242 0.707 0 CA-C-O 122.296 1.046 . . . . 0.0 111.907 -173.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.611 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 7.7 mm-40 28.19 73.97 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 125.939 1.696 . . . . 0.0 113.308 -169.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 38.75 31.02 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 125.149 1.38 . . . . 0.0 114.136 174.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.94 88.55 3.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.053 0.93 . . . . 0.0 112.207 -174.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.632 ' HB3' HG23 ' A' ' 31' ' ' VAL . 4.4 ttp180 -81.53 -144.52 0.05 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 122.477 1.132 . . . . 0.0 109.429 173.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -97.02 31.84 2.3 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.526 1.631 . . . . 0.0 109.245 168.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 29' ' ' ARG . 12.2 t -123.43 21.34 4.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.896 -173.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -135.75 11.75 3.41 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -173.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -148.34 -44.74 0.15 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 122.381 1.086 . . . . 0.0 110.485 174.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.6 54.46 0.89 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.956 1.36 . . . . 0.0 110.295 174.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.565 HG23 ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -82.91 -64.57 1.14 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.879 1.323 . . . . 0.0 111.724 174.626 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.22 29.46 0.66 Allowed 'General case' 0 C--O 1.244 0.809 0 O-C-N 121.282 -0.886 . . . . 0.0 112.801 -175.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -100.92 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.39 0.614 . . . . 0.0 112.15 -174.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.776 HG22 ' CD1' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -67.94 -165.44 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 O-C-N 121.608 -0.682 . . . . 0.0 112.123 -168.34 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.55 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 95.2 m 59.45 -77.08 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 123.858 1.789 . . . . 0.0 113.969 -170.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 124.496 2.093 . . . . 0.0 113.494 173.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -47.52 -62.27 1.52 Allowed 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 113.217 -1.81 . . . . 0.0 113.608 -169.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.776 ' CD1' HG22 ' A' ' 38' ' ' THR . 21.3 p-90 -62.21 -18.02 59.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.041 -172.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -74.53 22.28 0.1 Allowed 'General case' 0 C--O 1.241 0.634 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 174.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -145.13 11.9 1.37 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 122.268 1.033 . . . . 0.0 112.022 170.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -149.93 22.54 0.87 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 123.827 0.851 . . . . 0.0 110.209 -174.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.647 ' O ' HG22 ' A' ' 46' ' ' VAL . 7.6 p -72.45 9.71 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.583 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -170.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.269 2.112 0 O-C-N 121.171 -0.956 . . . . 0.0 110.615 173.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' FMT . . . . . 0.494 ' C ' ' C ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.153 0 CA-C-O 120.689 0.28 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.34 -10.6 58.38 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 120.814 -1.179 . . . . 0.0 113.97 -173.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.65 -173.51 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 122.391 1.091 . . . . 0.0 110.225 -173.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 5' ' ' LYS . . . 138.42 115.65 1.35 Allowed Glycine 0 N--CA 1.47 0.919 0 N-CA-C 108.771 -1.732 . . . . 0.0 108.771 -173.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER 85.65 -48.67 0.07 Allowed 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.92 1.688 . . . . 0.0 108.725 -168.413 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.883 HD22 ' CZ ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -83.52 27.51 0.6 Allowed 'General case' 0 C--O 1.251 1.132 0 C-N-CA 123.921 0.888 . . . . 0.0 111.41 170.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.18 125.09 22.35 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 120.854 -1.154 . . . . 0.0 109.491 -173.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 48.52 79.0 0.08 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 -168.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.883 ' CZ ' HD22 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -65.89 -148.85 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -164.777 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.402 ' N ' ' CD1' ' A' ' 9' ' ' PHE . 1.0 OUTLIER -48.78 -22.84 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.654 0 O-C-N 120.319 -1.488 . . . . 0.0 113.488 -168.373 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -87.84 0.01 OUTLIER 'General case' 0 C--O 1.243 0.749 0 O-C-N 122.076 -0.39 . . . . 0.0 110.147 174.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.66 -177.78 25.85 Favored Glycine 0 C--N 1.319 -0.379 0 CA-C-O 122.174 0.874 . . . . 0.0 112.047 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -124.35 119.7 30.0 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.06 0.934 . . . . 0.0 111.805 -174.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.36 150.05 30.9 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.789 0.804 . . . . 0.0 110.584 173.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 46.5 55.28 7.71 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 123.145 1.45 . . . . 0.0 110.197 -174.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.08 -8.77 44.88 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 114.958 -1.019 . . . . 0.0 113.496 -172.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' HB3' ' C ' ' A' ' 53' ' ' FMT . 1.5 mm-40 62.34 39.16 12.54 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.776 0.798 . . . . 0.0 111.069 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.6 61.84 0.82 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.892 0.853 . . . . 0.0 112.355 -173.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.6 mtp -144.07 -89.52 0.12 Allowed 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.599 -0.688 . . . . 0.0 110.43 173.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -52.83 62.93 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.785 1.279 . . . . 0.0 110.374 174.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -57.4 -20.94 33.02 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.865 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.57 26.38 12.73 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.105 0.955 . . . . 0.0 110.662 -174.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 74.99 82.33 0.1 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.965 1.364 . . . . 0.0 109.494 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.7 m -49.75 121.04 4.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.86 -171.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.522 ' C ' ' HG2' ' A' ' 26' ' ' GLU . 0.7 OUTLIER 174.39 171.42 0.22 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.051 0.929 . . . . 0.0 110.564 173.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.522 ' HG2' ' C ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER 61.61 18.28 9.38 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.076 -1.015 . . . . 0.0 111.113 -171.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.24 20.55 0.24 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 173.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.53 85.34 2.05 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.71 1.243 . . . . 0.0 110.258 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.4 -143.91 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 122.363 1.078 . . . . 0.0 110.076 -173.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -96.98 31.9 2.27 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.835 1.303 . . . . 0.0 110.194 171.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 31' ' ' VAL . 61.9 t -116.7 20.46 6.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 122.329 1.062 . . . . 0.0 110.782 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.53 10.56 4.05 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.448 -172.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.53 11.59 17.12 Favored 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.311 -0.868 . . . . 0.0 111.715 172.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -103.68 47.7 0.87 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.405 1.098 . . . . 0.0 110.201 173.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.35 2.99 16.83 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -174.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.489 ' CD ' ' H ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -81.34 17.58 1.31 Allowed 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -177.157 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' O ' ' CE1' ' A' ' 41' ' ' PHE . 23.2 mtt85 -76.65 95.29 3.93 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.346 0.593 . . . . 0.0 110.905 173.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.606 ' HA ' ' CZ ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -73.87 -25.19 59.91 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -174.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.589 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 2.5 p -36.32 -56.58 0.77 Allowed 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 126.308 2.956 . . . . 0.0 113.463 173.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -62.57 -37.27 85.55 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 111.963 -2.38 . . . . 0.0 113.443 -169.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.606 ' CZ ' ' HA ' ' A' ' 38' ' ' THR . 0.3 OUTLIER -57.54 -68.26 0.25 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 124.062 1.887 . . . . 0.0 110.48 -174.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.589 ' NE1' ' HA ' ' A' ' 39' ' ' THR . 46.1 p-90 -65.3 -13.2 57.89 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 123.706 1.717 . . . . 0.0 110.911 -172.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.488 ' HE3' ' CH2' ' A' ' 42' ' ' TRP . 3.2 mttt -75.51 23.91 0.12 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 120.1 -1.625 . . . . 0.0 114.297 169.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -128.72 23.54 5.79 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.67 0.747 . . . . 0.0 110.076 170.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -147.66 -38.0 0.2 Allowed 'General case' 0 C--O 1.249 1.038 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -172.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.3 m -68.33 130.97 33.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.976 0.893 . . . . 0.0 110.492 -173.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.27 2.174 0 CA-C-O 121.94 0.876 . . . . 0.0 111.011 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' FMT . . . . . 0.477 ' C ' ' HB3' ' A' ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' FMT . . . . . 0.452 ' C ' ' H ' ' A' ' 36' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.435 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 120.656 0.265 . . . . 0.0 110.354 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.435 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 6.8 p30 -141.66 135.01 29.49 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.012 -1.055 . . . . 0.0 110.653 174.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.62 95.0 3.75 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.877 0.846 . . . . 0.0 110.956 -177.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.1 -92.53 1.88 Allowed Glycine 0 C--N 1.32 -0.311 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 174.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -46.13 -37.9 7.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.24 1.019 . . . . 0.0 111.027 177.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.911 HD22 ' CE1' ' A' ' 9' ' ' PHE . 1.8 mt -82.47 43.4 0.81 Allowed 'General case' 0 C--O 1.259 1.561 0 C-N-CA 123.456 0.703 . . . . 0.0 112.873 173.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -60.51 115.44 3.59 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 120.255 -1.528 . . . . 0.0 110.055 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 41.64 73.78 0.12 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.514 1.15 . . . . 0.0 109.041 -171.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.911 ' CE1' HD22 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -46.79 163.03 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 124.949 2.309 . . . . 0.0 115.625 -168.722 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -31.08 -40.31 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 C-N-CA 125.87 1.668 . . . . 0.0 113.894 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.24 98.75 0.11 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.356 1.074 . . . . 0.0 110.707 -176.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.05 -38.42 0.84 Allowed Glycine 0 C--O 1.237 0.302 0 CA-C-O 122.085 0.825 . . . . 0.0 111.607 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.521 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.0 m120 -73.55 -125.39 0.0 OUTLIER 'General case' 0 C--O 1.247 0.962 0 O-C-N 121.802 -0.822 . . . . 0.0 110.798 -175.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER 79.4 126.04 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.003 -1.061 . . . . 0.0 112.036 174.467 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 41.62 37.09 0.65 Allowed 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 124.07 0.948 . . . . 0.0 113.212 174.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.71 -54.64 2.04 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 121.806 -0.559 . . . . 0.0 111.269 -174.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 12.2 51.83 0.0 OUTLIER 'General case' 0 C--O 1.246 0.902 0 C-N-CA 127.053 2.141 . . . . 0.0 114.949 -172.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 13.3 t -155.3 88.27 1.15 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 122.259 1.028 . . . . 0.0 112.147 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.8 ttt -162.08 -75.24 0.05 OUTLIER 'General case' 0 C--O 1.242 0.674 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.92 173.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -60.1 -53.02 62.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.831 0.825 . . . . 0.0 110.959 -177.233 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 3.1 mm-40 -69.81 -11.38 60.82 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 91.96 -36.23 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 126.15 1.78 . . . . 0.0 108.809 -172.305 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 177.45 37.76 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.087 0.946 . . . . 0.0 110.589 170.379 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 41.58 100.54 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 123.848 1.785 . . . . 0.0 113.929 176.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 32' ' ' PHE . 81.0 t80 74.28 139.79 0.06 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 120.686 -1.259 . . . . 0.0 110.633 174.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -44.92 122.4 3.24 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.363 1.065 . . . . 0.0 113.869 -171.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 35.99 40.54 0.1 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.965 1.364 . . . . 0.0 111.169 176.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.15 90.48 1.57 Allowed 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 122.826 1.298 . . . . 0.0 111.53 -171.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.557 ' HB3' HG23 ' A' ' 31' ' ' VAL . 8.3 ttt-85 -84.54 21.86 1.41 Allowed 'General case' 0 C--O 1.249 1.034 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -175.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 57.21 23.88 9.2 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.703 1.24 . . . . 0.0 110.0 -169.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.557 HG23 ' HB3' ' A' ' 29' ' ' ARG . 65.1 t -109.99 18.07 7.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 122.176 0.989 . . . . 0.0 110.97 -178.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.546 ' CE2' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -135.98 7.92 3.21 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -171.117 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.5 ' HG2' ' CD1' ' A' ' 32' ' ' PHE . 4.3 mm-40 -137.89 31.39 2.48 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.985 1.374 . . . . 0.0 109.595 172.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 164.2 55.97 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 123.669 1.699 . . . . 0.0 109.631 -172.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.661 HG23 ' HG2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -66.02 -50.08 65.47 Favored 'General case' 0 C--O 1.247 0.972 0 CA-C-N 114.771 -1.104 . . . . 0.0 113.474 -170.42 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.661 ' HG2' HG23 ' A' ' 35' ' ' THR . 0.3 OUTLIER -79.17 8.33 6.07 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -171.696 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.8 mtm-85 -84.23 -83.31 0.15 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.301 1.048 . . . . 0.0 110.198 172.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.425 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.6 OUTLIER -74.07 137.96 43.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 122.978 1.371 . . . . 0.0 112.206 -173.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.547 ' N ' ' NE1' ' A' ' 42' ' ' TRP . 1.0 OUTLIER 141.72 -37.23 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 129.622 3.169 . . . . 0.0 107.931 171.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -80.29 -67.34 0.78 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 124.636 2.16 . . . . 0.0 112.95 174.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -48.95 -56.15 9.72 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 114.358 -1.292 . . . . 0.0 113.096 -170.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.547 ' NE1' ' N ' ' A' ' 39' ' ' THR . 61.8 p-90 -72.33 -19.17 61.69 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.148 0.975 . . . . 0.0 112.496 -172.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.485 ' CD ' ' CZ3' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -75.24 18.33 0.21 Allowed 'General case' 0 C--O 1.241 0.647 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 173.051 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.19 17.48 12.36 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 122.99 1.376 . . . . 0.0 110.462 172.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.23 -39.39 0.54 Allowed 'General case' 0 C--O 1.243 0.741 0 O-C-N 120.851 -1.155 . . . . 0.0 112.066 -173.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.0 m -63.73 120.02 9.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 122.251 1.024 . . . . 0.0 110.561 176.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 p30 . . . . . 0 C--O 1.27 2.163 0 CA-C-O 121.843 0.83 . . . . 0.0 110.905 -175.803 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.511 -0.532 0 CA-C-O 121.792 0.806 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -177.67 -30.92 0.01 OUTLIER 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.328 0.585 . . . . 0.0 111.741 175.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.755 ' HB2' HD12 ' A' ' 6' ' ' LEU . 21.2 m -74.53 -115.15 0.01 OUTLIER 'General case' 0 C--O 1.249 1.052 0 O-C-N 121.849 -0.532 . . . . 0.0 110.473 174.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.39 -44.52 2.78 Favored Glycine 0 CA--C 1.542 1.762 0 N-CA-C 105.41 -3.076 . . . . 0.0 105.41 -166.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -68.65 0.64 3.95 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 113.254 -1.473 . . . . 0.0 110.697 166.114 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.755 HD12 ' HB2' ' A' ' 3' ' ' SER . 6.9 mt -61.43 -13.59 21.59 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.763 -1.211 . . . . 0.0 110.533 169.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -61.65 -34.51 75.83 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.653 0.74 . . . . 0.0 110.527 173.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -114.33 -66.67 1.06 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 122.639 1.209 . . . . 0.0 108.673 169.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.602 ' CZ ' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER 95.25 174.8 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 126.096 1.758 . . . . 0.0 114.734 165.221 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -30.74 -44.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 125.523 1.529 . . . . 0.0 112.271 172.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.88 93.2 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.27 1.033 . . . . 0.0 110.572 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.72 -158.72 7.66 Favored Glycine 0 N--CA 1.462 0.4 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -80.41 -117.14 0.02 OUTLIER 'General case' 0 C--O 1.247 0.937 0 O-C-N 122.19 -0.594 . . . . 0.0 110.283 -177.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.3 mt 56.85 -93.14 0.04 OUTLIER 'General case' 0 C--O 1.248 0.975 0 O-C-N 121.586 -0.696 . . . . 0.0 111.76 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 pm0 -126.4 45.4 2.67 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 121.093 -1.005 . . . . 0.0 110.859 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -150.55 63.58 0.94 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.167 0.984 . . . . 0.0 110.755 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -68.3 -148.56 0.01 OUTLIER 'General case' 0 C--O 1.247 0.949 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.297 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 m -80.02 140.7 36.44 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.09 0.948 . . . . 0.0 110.444 -174.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mmm -62.98 -75.7 0.07 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.589 1.185 . . . . 0.0 111.22 -173.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.19 -168.84 0.01 OUTLIER 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.596 1.189 . . . . 0.0 110.003 175.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -70.49 11.02 0.39 Allowed 'General case' 0 C--O 1.251 1.174 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.08 -44.01 64.15 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.194 0.997 . . . . 0.0 110.799 174.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.2 m -136.18 108.21 7.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.656 0.741 . . . . 0.0 110.831 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.0 p -144.34 105.93 4.28 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.961 0.886 . . . . 0.0 111.449 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -155.05 -42.59 0.08 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.389 0.614 . . . . 0.0 112.474 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.443 ' C ' ' HG2' ' A' ' 27' ' ' GLU . 3.3 pm0 -30.9 98.95 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 124.72 1.208 . . . . 0.0 113.812 -174.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HG2' ' C ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 33.33 67.76 0.18 Allowed 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 124.935 1.294 . . . . 0.0 113.196 178.005 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.47 99.77 3.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.587 0.708 . . . . 0.0 110.501 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -74.0 -31.89 63.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.761 0.791 . . . . 0.0 111.245 -174.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -91.31 22.87 3.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.499 0.666 . . . . 0.0 112.598 174.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.2 t -148.76 22.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 122.003 0.906 . . . . 0.0 111.079 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.18 -41.22 10.57 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.833 0.825 . . . . 0.0 111.81 -173.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -116.43 37.32 3.77 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.386 0.612 . . . . 0.0 111.727 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -148.23 -31.85 0.27 Allowed 'General case' 0 C--O 1.252 1.19 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 175.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.446 HG23 ' HG2' ' A' ' 36' ' ' GLU . 3.8 t -62.35 -59.71 4.61 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.029 -1.044 . . . . 0.0 111.572 -173.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.446 ' HG2' HG23 ' A' ' 35' ' ' THR . 2.0 mm-40 -81.41 11.26 4.63 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -173.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -82.96 -53.01 6.17 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.562 0.696 . . . . 0.0 111.572 174.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.475 HG22 ' H ' ' A' ' 39' ' ' THR . 0.7 OUTLIER -54.27 176.71 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.513 0.673 . . . . 0.0 110.862 174.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.475 ' H ' HG22 ' A' ' 38' ' ' THR . 1.4 m 82.7 -58.64 0.17 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 125.644 2.64 . . . . 0.0 113.83 -172.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -78.63 -61.96 1.84 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 123.844 1.783 . . . . 0.0 112.28 171.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -51.2 -52.05 48.12 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.832 1.301 . . . . 0.0 112.424 -169.439 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.511 ' N ' ' CD1' ' A' ' 41' ' ' PHE . 1.2 p-90 -68.17 -26.89 65.98 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.562 -171.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.28 16.85 0.22 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.36 11.15 38.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.586 1.184 . . . . 0.0 111.693 170.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -133.71 -39.73 0.88 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 124.01 0.924 . . . . 0.0 109.871 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 t -72.38 114.1 10.75 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 t0 . . . . . 0 C--O 1.27 2.16 0 CA-C-O 122.06 0.934 . . . . 0.0 111.141 -179.142 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.1 t80 . . . . . 0 C--O 1.239 0.527 0 CA-C-O 121.523 0.678 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 51.54 84.29 0.05 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.018 0.913 . . . . 0.0 111.761 173.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.59 ' HB3' ' CB ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER 63.16 -162.56 0.28 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.709 1.242 . . . . 0.0 111.137 178.781 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.61 -34.4 5.6 Favored Glycine 0 N--CA 1.481 1.641 0 N-CA-C 106.451 -2.66 . . . . 0.0 106.451 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.21 -71.59 0.75 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.037 -1.082 . . . . 0.0 109.612 170.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.515 ' HA ' ' CD1' ' A' ' 9' ' ' PHE . 23.2 mt -79.67 -70.85 0.48 Allowed 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -172.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.59 ' CB ' ' HB3' ' A' ' 3' ' ' SER . 11.4 mm-40 -55.83 143.5 31.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 123.255 1.502 . . . . 0.0 109.806 -172.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HG2' ' C ' ' A' ' 7' ' ' GLU . 5.5 mm-40 71.83 -69.57 0.18 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -164.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.515 ' CD1' ' HA ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER 85.04 166.42 0.09 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 124.745 2.212 . . . . 0.0 116.885 162.578 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -25.65 -42.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 C-N-CA 127.207 2.203 . . . . 0.0 111.742 168.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -83.35 70.66 10.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.721 0.772 . . . . 0.0 110.792 172.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.6 173.02 15.34 Favored Glycine 0 C--N 1.32 -0.333 0 CA-C-O 122.256 0.92 . . . . 0.0 111.892 -173.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.3 62.69 1.51 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.064 0.935 . . . . 0.0 110.972 174.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.0 mt -92.0 -126.08 0.09 Allowed 'General case' 0 C--O 1.25 1.111 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.212 176.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' ARG . 3.9 mt-10 -93.78 41.62 1.09 Allowed 'General case' 0 C--N 1.317 -0.831 0 O-C-N 120.993 -1.067 . . . . 0.0 112.452 177.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER 26.33 59.6 0.07 Allowed 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 126.37 1.868 . . . . 0.0 110.953 171.086 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' HG2' ' H ' ' A' ' 17' ' ' GLU . 0.8 OUTLIER -42.15 164.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 123.486 1.612 . . . . 0.0 112.93 174.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -86.86 20.05 2.75 Favored 'General case' 0 C--O 1.245 0.846 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -173.655 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.523 ' CB ' ' O ' ' A' ' 18' ' ' CYS . 32.9 ttm 105.74 97.22 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 126.281 1.832 . . . . 0.0 107.327 -168.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.63 -50.13 4.13 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -173.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -35.05 72.12 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.716 0.77 . . . . 0.0 111.059 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -87.15 9.11 21.01 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 176.192 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.63 -77.38 0.53 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.348 1.071 . . . . 0.0 109.453 175.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.4 -170.63 0.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.942 173.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER 67.41 -88.07 0.03 OUTLIER 'General case' 0 C--O 1.243 0.735 0 C-N-CA 123.801 0.84 . . . . 0.0 112.402 173.084 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.555 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 3.3 mm-40 -28.24 122.65 0.11 Allowed 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 125.435 1.494 . . . . 0.0 114.175 -173.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 51.5 39.99 25.88 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.732 -0.605 . . . . 0.0 111.962 174.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.825 ' HB1' HG12 ' A' ' 31' ' ' VAL . . . -54.89 115.49 2.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.489 0.661 . . . . 0.0 110.074 174.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.41 ' H ' ' HG2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -79.96 -78.69 0.16 Allowed 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.493 0.663 . . . . 0.0 110.796 175.31 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.09 26.0 3.93 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.827 0.822 . . . . 0.0 112.254 -174.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.825 HG12 ' HB1' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -126.82 11.11 3.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 122.786 1.279 . . . . 0.0 111.583 173.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.21 -20.65 14.06 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.381 -0.824 . . . . 0.0 112.535 -173.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.41 15.92 2.8 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.75 -10.18 16.18 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.405 -0.809 . . . . 0.0 112.268 173.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t -81.08 -38.42 27.36 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.767 0.794 . . . . 0.0 111.494 175.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -82.84 21.86 0.98 Allowed 'General case' 0 C--O 1.243 0.751 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -81.83 -26.89 33.92 Favored 'General case' 0 C--N 1.317 -0.822 0 O-C-N 121.368 -0.833 . . . . 0.0 112.187 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.467 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.2 OUTLIER -57.25 172.75 0.29 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.794 -0.566 . . . . 0.0 111.427 -175.528 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.581 ' CG2' ' N ' ' A' ' 40' ' ' GLU . 0.5 OUTLIER 94.28 -59.28 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 124.068 1.889 . . . . 0.0 109.166 -177.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.581 ' N ' ' CG2' ' A' ' 39' ' ' THR . 9.6 tt0 -76.41 -49.07 17.68 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 113.189 -1.823 . . . . 0.0 114.689 -171.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.449 ' CD2' ' N ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -49.2 -52.48 26.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.106 1.431 . . . . 0.0 110.637 -174.462 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.517 ' NE1' ' HA ' ' A' ' 39' ' ' THR . 50.6 p-90 -77.69 -13.82 59.79 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.377 1.085 . . . . 0.0 112.21 -175.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.42 17.25 0.11 Allowed 'General case' 0 C--O 1.238 0.453 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 172.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.27 18.21 11.49 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 122.402 1.096 . . . . 0.0 110.148 169.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -147.81 13.1 1.02 Allowed 'General case' 0 C--O 1.246 0.901 0 O-C-N 121.596 -0.69 . . . . 0.0 112.19 -173.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.31 127.21 31.91 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 CA-C-O 121.847 0.832 . . . . 0.0 109.945 -173.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 C--O 1.27 2.167 0 CA-C-O 122.021 0.915 . . . . 0.0 111.055 175.433 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 122.123 0.963 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -142.42 59.54 1.45 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.027 0.918 . . . . 0.0 110.689 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.66 123.13 12.25 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.11 0.957 . . . . 0.0 111.43 -174.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.61 -92.58 0.89 Allowed Glycine 0 N--CA 1.461 0.365 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.6 mmtt -52.68 -27.3 16.81 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.036 0.922 . . . . 0.0 110.995 174.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.871 HD22 ' CZ ' ' A' ' 9' ' ' PHE . 8.8 mt -82.54 39.84 0.63 Allowed 'General case' 0 C--O 1.25 1.125 0 C-N-CA 123.668 0.787 . . . . 0.0 112.452 172.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.01 139.02 54.95 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 120.321 -1.487 . . . . 0.0 110.794 -176.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 44.78 28.25 0.33 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.223 1.011 . . . . 0.0 109.777 -172.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.871 ' CZ ' HD22 ' A' ' 6' ' ' LEU . 0.7 OUTLIER -13.07 -133.76 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 129.856 3.262 . . . . 0.0 117.285 -169.418 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' N ' ' CD1' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -59.47 -20.76 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 O-C-N 119.997 -1.689 . . . . 0.0 110.896 -173.207 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -83.72 38.29 0.63 Allowed 'General case' 0 C--O 1.247 0.943 0 C-N-CA 123.996 0.918 . . . . 0.0 112.97 172.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.67 -132.35 3.92 Favored Glycine 0 C--N 1.318 -0.42 0 O-C-N 121.237 -0.915 . . . . 0.0 111.241 -174.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 49.54 26.37 1.7 Allowed 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.926 -0.749 . . . . 0.0 111.236 -174.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt 45.06 56.51 5.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.084 0.945 . . . . 0.0 111.808 -175.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.422 ' HA ' ' NH2' ' A' ' 16' ' ' ARG . 10.7 mt-10 45.58 69.39 0.46 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 124.659 2.171 . . . . 0.0 110.736 -178.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' NH2' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -50.61 -14.79 0.21 Allowed 'General case' 0 C--O 1.25 1.096 0 CA-C-N 114.069 -1.423 . . . . 0.0 113.418 173.154 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.43 -164.44 0.06 Allowed 'General case' 0 C--N 1.318 -0.778 0 O-C-N 121.009 -1.057 . . . . 0.0 110.675 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 82.2 m -85.71 140.74 30.26 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.159 0.98 . . . . 0.0 111.248 -174.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mtm -62.67 -74.48 0.09 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.539 1.161 . . . . 0.0 110.743 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -167.87 0.01 OUTLIER 'General case' 0 C--O 1.241 0.645 0 CA-C-O 122.564 1.173 . . . . 0.0 109.809 174.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' C ' ' C ' ' A' ' 53' ' ' FMT . 13.3 pt-20 -71.11 3.97 3.08 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 114.498 1.295 . . . . 0.0 114.498 177.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -54.94 -28.61 52.44 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 121.201 -0.937 . . . . 0.0 111.329 -174.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 46.1 m -133.14 -43.8 0.86 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.727 0.775 . . . . 0.0 111.263 174.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 p -142.84 135.04 27.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.646 0.736 . . . . 0.0 111.076 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -96.94 -81.06 0.43 Allowed 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.949 0.881 . . . . 0.0 110.624 174.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -130.31 -47.31 1.09 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 123.529 1.633 . . . . 0.0 109.331 173.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -143.88 47.44 1.44 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.533 1.159 . . . . 0.0 109.55 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.91 10.18 1.26 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -172.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -84.13 -75.02 0.36 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 122.848 1.308 . . . . 0.0 110.739 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.37 22.87 4.24 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.66 -174.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.817 HG13 HG23 ' A' ' 35' ' ' THR . 48.6 t -127.9 24.39 2.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 122.757 1.265 . . . . 0.0 110.451 173.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.11 90.46 2.75 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.309 1.052 . . . . 0.0 110.193 -173.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 64.78 32.34 11.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.695 0.759 . . . . 0.0 111.012 -172.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -177.3 46.89 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 123.024 1.393 . . . . 0.0 110.464 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.817 HG23 HG13 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -77.77 -68.58 0.61 Allowed 'General case' 0 C--O 1.242 0.7 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -172.071 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.78 19.16 0.87 Allowed 'General case' 0 C--O 1.243 0.745 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -171.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.9 mtp-105 -82.41 -68.27 0.72 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.981 0.896 . . . . 0.0 110.347 172.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.526 HG22 ' H ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -57.32 177.33 0.09 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.421 0.629 . . . . 0.0 111.014 173.756 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.526 ' H ' HG22 ' A' ' 38' ' ' THR . 0.5 OUTLIER 89.48 -54.0 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 126.326 2.965 . . . . 0.0 108.972 -172.698 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.535 ' HG2' ' N ' ' A' ' 41' ' ' PHE . 6.4 tt0 -79.18 -71.38 0.45 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 112.98 -1.918 . . . . 0.0 113.74 174.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.535 ' N ' ' HG2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -49.73 -46.75 50.69 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 122.605 1.193 . . . . 0.0 112.865 -172.068 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.487 ' NE1' ' HG3' ' A' ' 43' ' ' LYS . 1.2 p-90 -70.0 -23.0 63.07 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -170.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.487 ' HG3' ' NE1' ' A' ' 42' ' ' TRP . 30.0 mttm -74.47 19.88 0.12 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -112.5 27.92 9.22 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.785 0.802 . . . . 0.0 110.925 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -143.86 -39.63 0.3 Allowed 'General case' 0 C--O 1.245 0.817 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -174.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 m -53.87 136.13 15.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 122.06 0.933 . . . . 0.0 110.477 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.271 2.209 0 CA-C-O 122.107 0.956 . . . . 0.0 111.019 176.094 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' FMT . . . . . 0.402 ' C ' ' C ' ' A' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' FMT . . . . . 0.427 ' C ' ' C ' ' A' ' 40' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.478 0 CA-C-O 121.614 0.721 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 3' ' ' SER . 71.8 m-80 -41.5 89.07 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -171.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.614 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 69.8 m 121.8 140.35 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 127.32 2.248 . . . . 0.0 112.333 171.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.46 -28.48 29.89 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 107.52 -2.232 . . . . 0.0 107.52 167.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -0.35 8.09 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 114.308 -0.946 . . . . 0.0 111.116 168.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.632 HD23 ' CE1' ' A' ' 9' ' ' PHE . 4.2 mt -59.37 -46.95 87.24 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 120.968 -1.083 . . . . 0.0 109.74 172.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.544 ' N ' ' C ' ' A' ' 48' ' ' FMT . 1.4 mp0 -61.96 145.09 53.97 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 166.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 44.63 48.11 8.64 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 123.145 1.45 . . . . 0.0 109.52 -170.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.632 ' CE1' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -61.37 162.13 8.28 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -170.272 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.43 HG13 ' CD1' ' A' ' 9' ' ' PHE . 2.0 m -27.46 115.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 125.419 2.533 . . . . 0.0 113.984 175.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -85.38 -82.34 0.18 Allowed 'General case' 0 C--O 1.247 0.951 0 C-N-CA 126.234 1.814 . . . . 0.0 113.949 -163.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -113.17 -156.98 12.46 Favored Glycine 0 C--O 1.24 0.5 0 O-C-N 121.254 -0.904 . . . . 0.0 110.878 -173.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.75 -173.59 2.33 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.069 -0.665 . . . . 0.0 110.961 176.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.634 HD13 ' OE2' ' A' ' 17' ' ' GLU . 0.1 OUTLIER 53.71 -146.13 0.56 Allowed 'General case' 0 C--O 1.256 1.437 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -172.615 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -70.65 -47.71 58.61 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 171.162 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER 128.82 27.45 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 127.835 2.454 . . . . 0.0 113.659 173.674 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.634 ' OE2' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER 37.51 -155.32 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.298 1.047 . . . . 0.0 111.683 -172.421 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.95 158.83 16.73 Favored 'General case' 0 C--O 1.244 0.802 0 O-C-N 121.53 -0.731 . . . . 0.0 109.833 171.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -88.93 0.09 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.976 0.893 . . . . 0.0 110.086 -174.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -174.63 0.06 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.459 1.123 . . . . 0.0 110.464 177.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -72.73 -1.63 17.18 Favored 'General case' 0 C--O 1.249 1.072 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -51.9 -42.92 63.1 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.474 -0.766 . . . . 0.0 112.48 -172.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.81 -75.82 0.55 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.801 0.81 . . . . 0.0 112.316 -173.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.28 -174.02 0.16 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.696 0.76 . . . . 0.0 110.569 -173.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.471 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -179.22 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -174.242 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.471 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 25.1 mm-40 -23.99 -74.91 0.02 OUTLIER 'General case' 0 C--O 1.246 0.879 0 C-N-CA 125.872 1.669 . . . . 0.0 115.116 -171.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.646 ' O ' HG12 ' A' ' 31' ' ' VAL . 60.6 mm-40 -122.21 26.77 8.31 Favored 'General case' 0 C--O 1.248 0.99 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -171.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.95 4.11 8.89 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 173.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HG2' ' HG2' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -82.41 100.1 9.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 123.445 1.593 . . . . 0.0 110.219 -173.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HG2' ' HG2' ' A' ' 29' ' ' ARG . 1.6 mm-40 59.81 20.45 9.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 122.107 0.956 . . . . 0.0 112.532 174.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.646 HG12 ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -131.73 7.89 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.431 1.11 . . . . 0.0 111.209 171.027 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -100.27 47.07 0.94 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 124.539 2.114 . . . . 0.0 109.107 -174.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 55.11 7.61 0.2 Allowed 'General case' 0 C--O 1.252 1.204 0 CA-C-N 114.038 -1.437 . . . . 0.0 113.793 -174.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 36.23 59.04 0.97 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 123.894 1.807 . . . . 0.0 108.484 -171.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.68 -17.43 62.95 Favored 'General case' 0 C--O 1.255 1.368 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -168.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.61 -26.84 68.58 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 123.957 1.837 . . . . 0.0 110.88 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -68.38 0.74 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 113.529 -1.669 . . . . 0.0 111.137 172.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.784 HG22 ' HD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -72.64 140.91 48.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 123.945 1.831 . . . . 0.0 113.187 -171.746 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.532 ' N ' ' HE1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER 138.89 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 130.724 3.61 . . . . 0.0 107.571 -179.577 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -75.04 0.22 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 125.735 2.683 . . . . 0.0 112.708 172.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.413 ' CG ' ' N ' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -47.01 -55.18 8.64 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 112.99 -1.913 . . . . 0.0 113.842 -168.837 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.784 ' HD1' HG22 ' A' ' 38' ' ' THR . 68.8 p-90 -76.96 -19.95 56.72 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.819 0.818 . . . . 0.0 113.024 -172.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.497 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 5.5 mmtt -74.9 22.09 0.11 Allowed 'General case' 0 C--O 1.241 0.639 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.24 21.85 11.58 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.666 0.746 . . . . 0.0 110.732 171.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -137.25 -31.4 0.82 Allowed 'General case' 0 C--O 1.248 1.0 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -173.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.9 m -57.23 133.85 21.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 122.146 0.975 . . . . 0.0 110.659 -174.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.161 0 CA-C-O 122.081 0.943 . . . . 0.0 111.188 -174.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' FMT . . . . . 0.544 ' C ' ' N ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.4 p90 . . . . . 0 CA--C 1.511 -0.534 0 CA-C-O 121.753 0.787 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 m120 63.01 98.6 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.392 1.091 . . . . 0.0 112.22 174.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 76.86 122.61 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.78 1.276 . . . . 0.0 112.905 172.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.53 -104.71 0.25 Allowed Glycine 0 N--CA 1.466 0.678 0 N-CA-C 108.901 -1.679 . . . . 0.0 108.901 172.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -59.89 -31.77 70.12 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.624 1.202 . . . . 0.0 109.425 170.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.591 HD12 ' HE2' ' A' ' 9' ' ' PHE . 2.9 mt -80.87 69.83 7.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.918 1.342 . . . . 0.0 110.006 171.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.24 147.55 29.9 Favored 'General case' 0 C--O 1.242 0.706 0 O-C-N 120.929 -1.107 . . . . 0.0 111.979 -171.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 44.77 52.34 7.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 123.164 1.459 . . . . 0.0 109.216 -173.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.656 ' CE1' HG13 ' A' ' 10' ' ' VAL . 1.0 OUTLIER -45.51 140.7 3.08 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -168.391 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.656 HG13 ' CE1' ' A' ' 9' ' ' PHE . 1.6 m -31.14 113.06 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-O 125.853 2.74 . . . . 0.0 113.531 177.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -85.63 155.91 20.93 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 126.688 1.995 . . . . 0.0 112.582 -162.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.33 145.68 7.42 Favored Glycine 0 C--N 1.32 -0.338 0 CA-C-O 122.38 0.989 . . . . 0.0 113.813 -172.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.82 1.86 32.06 Favored 'General case' 0 C--O 1.243 0.738 0 O-C-N 121.827 -0.808 . . . . 0.0 112.774 173.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -149.38 29.37 0.78 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 122.057 0.932 . . . . 0.0 111.9 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -126.27 26.56 6.41 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.748 1.261 . . . . 0.0 110.242 171.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.93 16.27 4.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.051 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -63.42 -118.8 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.472 -0.767 . . . . 0.0 109.12 171.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 23' ' ' CYS . 18.1 m -76.95 139.42 40.14 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 171.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.3 mtt -71.18 -88.94 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 122.518 1.152 . . . . 0.0 110.274 -170.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -60.38 170.42 1.35 Allowed 'General case' 0 C--O 1.245 0.85 0 CA-C-O 123.032 1.396 . . . . 0.0 109.198 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -74.45 14.91 0.4 Allowed 'General case' 0 C--O 1.25 1.096 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -85.44 -57.49 3.05 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.024 0.916 . . . . 0.0 111.599 -172.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -61.77 -67.45 0.41 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.618 0.723 . . . . 0.0 110.269 -176.075 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.3 p 47.82 78.05 0.08 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.488 0.661 . . . . 0.0 110.905 174.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -122.69 19.58 10.28 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -171.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -23.6 43.63 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.669 -0.644 . . . . 0.0 112.268 -173.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -128.73 58.35 1.58 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 122.666 1.222 . . . . 0.0 110.022 173.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.56 -151.15 0.02 OUTLIER 'General case' 0 C--O 1.242 0.705 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.698 -171.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.533 ' HA ' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -66.38 6.81 0.38 Allowed 'General case' 0 C--O 1.25 1.092 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -171.726 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.64 13.97 11.06 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 119.066 0.848 . . . . 0.0 112.553 171.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' O ' HG12 ' A' ' 31' ' ' VAL . 53.7 t -150.11 17.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.583 0.706 . . . . 0.0 110.802 -174.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.533 ' CD1' ' HA ' ' A' ' 29' ' ' ARG . 2.5 m-85 -88.05 -15.95 34.91 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.11 31.13 1.77 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.704 0.764 . . . . 0.0 110.236 173.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 46.98 41.01 10.29 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 123.892 1.806 . . . . 0.0 109.462 -172.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -8.88 2.99 Favored 'General case' 0 C--O 1.245 0.852 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.564 -172.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -83.6 22.11 1.13 Allowed 'General case' 0 C--O 1.246 0.917 0 O-C-N 121.048 -1.033 . . . . 0.0 113.754 172.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -45.99 14.69 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.16 -0.963 . . . . 0.0 113.315 -173.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 39' ' ' THR . 0.5 OUTLIER -54.06 172.52 0.08 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.89 0.852 . . . . 0.0 111.322 -171.599 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.528 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER 80.87 -72.54 0.06 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 124.11 1.91 . . . . 0.0 110.95 -168.334 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -75.16 -49.61 18.94 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 113.519 -1.673 . . . . 0.0 112.725 -172.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.65 -52.89 35.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 123.401 1.572 . . . . 0.0 110.451 -173.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.528 ' NE1' ' HA ' ' A' ' 39' ' ' THR . 33.0 p-90 -76.74 -16.33 59.52 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.984 -174.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -72.95 21.63 0.07 Allowed 'General case' 0 C--O 1.241 0.651 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 171.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.88 10.09 36.53 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 122.188 0.994 . . . . 0.0 112.082 172.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.829 ' CE1' HG23 ' A' ' 46' ' ' VAL . 32.2 p90 -143.14 -54.31 0.39 Allowed 'General case' 0 C--O 1.242 0.71 0 O-C-N 121.372 -0.83 . . . . 0.0 111.073 -173.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.829 HG23 ' CE1' ' A' ' 45' ' ' TYR . 6.0 t -69.17 115.46 7.82 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 CA-C-O 121.846 0.832 . . . . 0.0 109.851 174.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.7 p30 . . . . . 0 C--O 1.27 2.173 0 CA-C-O 122.049 0.928 . . . . 0.0 110.97 -174.71 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.442 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 0.3 OUTLIER . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 121.671 0.748 . . . . 0.0 111.295 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 1' ' ' TYR . 2.3 m120 87.94 -22.47 0.14 Allowed 'General case' 0 C--O 1.243 0.713 0 C-N-CA 124.989 1.316 . . . . 0.0 112.232 -176.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 p 56.11 -173.08 0.07 Allowed 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 122.214 1.007 . . . . 0.0 111.014 173.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 5' ' ' LYS . . . 141.9 106.69 0.61 Allowed Glycine 0 N--CA 1.472 1.053 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 -173.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 42.7 mmtt 86.84 -47.64 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 123.564 1.649 . . . . 0.0 107.686 -167.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.766 HD22 HG22 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -82.93 48.53 1.37 Allowed 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 125.19 1.396 . . . . 0.0 109.277 165.158 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.489 ' C ' ' HG2' ' A' ' 8' ' ' GLU . 10.9 mm-40 -72.38 107.59 5.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.834 0.826 . . . . 0.0 109.715 -174.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.489 ' HG2' ' C ' ' A' ' 7' ' ' GLU . 0.5 OUTLIER 74.1 0.18 3.53 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.798 -172.58 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.703 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -134.93 173.24 11.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 124.198 1.951 . . . . 0.0 114.089 173.581 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.766 HG22 HD22 ' A' ' 6' ' ' LEU . 2.1 t -171.47 -54.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 123.269 1.509 . . . . 0.0 110.386 169.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -82.77 113.02 20.13 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.991 173.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.9 121.14 2.8 Favored Glycine 0 C--O 1.237 0.289 0 CA-C-O 121.964 0.758 . . . . 0.0 111.961 174.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.29 -42.74 1.82 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.861 0.839 . . . . 0.0 111.232 174.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.4 10.38 2.08 Favored 'General case' 0 C--O 1.245 0.83 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -174.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.03 27.04 9.39 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.325 -0.859 . . . . 0.0 111.514 174.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.11 19.14 6.5 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 121.908 -0.495 . . . . 0.0 112.273 -174.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 49.69 -147.99 0.3 Allowed 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.259 0.552 . . . . 0.0 110.378 -174.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.71 164.19 22.98 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.506 -0.746 . . . . 0.0 110.317 173.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.74 -85.23 0.09 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.104 0.954 . . . . 0.0 110.293 -174.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -175.74 0.05 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.592 1.187 . . . . 0.0 110.325 175.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -73.75 8.49 1.9 Allowed 'General case' 0 C--O 1.249 1.055 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -72.89 -39.32 66.49 Favored 'General case' 0 C--N 1.316 -0.864 0 O-C-N 121.069 -1.019 . . . . 0.0 111.201 -172.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.07 27.49 3.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.415 0.626 . . . . 0.0 112.124 176.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.1 p -110.43 62.16 0.6 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.998 0.904 . . . . 0.0 110.203 174.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.604 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 1.9 p90 -88.01 -86.27 0.17 Allowed 'General case' 0 C--O 1.253 1.242 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.227 -172.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.604 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 18.6 mm-40 36.29 50.16 0.72 Allowed 'General case' 0 C--N 1.315 -0.925 0 O-C-N 119.055 -2.278 . . . . 0.0 112.278 -165.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HG2' ' C ' ' A' ' 26' ' ' GLU . 0.6 OUTLIER 66.45 7.89 5.34 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 172.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' ' 32' ' ' PHE . . . -77.58 81.02 4.05 Favored 'General case' 0 C--O 1.246 0.903 0 C-N-CA 124.28 1.032 . . . . 0.0 110.851 173.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -62.91 -84.78 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.01 0.91 . . . . 0.0 110.83 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -147.83 34.18 0.84 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.198 1.475 . . . . 0.0 109.679 173.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.785 HG12 HG23 ' A' ' 35' ' ' THR . 2.2 t -140.37 22.69 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.098 -0.956 . . . . 0.0 110.929 -173.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.411 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 14.7 t80 -126.2 50.43 1.89 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 122.59 1.186 . . . . 0.0 111.305 -170.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -175.53 -35.99 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.273 1.035 . . . . 0.0 111.046 174.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -129.58 64.85 1.49 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.886 0.85 . . . . 0.0 110.875 175.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.785 HG23 HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -78.78 -80.55 0.11 Allowed 'General case' 0 C--O 1.249 1.033 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -173.102 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -81.92 2.34 31.04 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -170.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 -82.83 -60.2 2.25 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.41 0.624 . . . . 0.0 111.472 -173.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -153.53 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.156 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.529 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 0.1 OUTLIER 48.7 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 125.92 1.688 . . . . 0.0 113.646 -171.517 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -53.82 -45.67 70.92 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 176.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -46.87 -50.72 18.16 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 122.638 1.209 . . . . 0.0 112.081 -170.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.529 ' NE1' ' HA ' ' A' ' 39' ' ' THR . 55.3 p-90 -84.11 -19.48 34.18 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 122.015 0.912 . . . . 0.0 112.562 -174.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.529 ' CD ' ' CH2' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -73.33 20.07 0.09 Allowed 'General case' 0 C--O 1.241 0.606 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 -179.353 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -114.04 13.15 18.12 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.181 0.991 . . . . 0.0 111.105 169.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -148.67 19.47 1.03 Allowed 'General case' 0 C--O 1.243 0.747 0 O-C-N 121.532 -0.73 . . . . 0.0 110.907 -174.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.9 t -68.88 152.08 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 CA-C-O 122.069 0.938 . . . . 0.0 109.972 -172.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 . . . . . 0 C--O 1.27 2.177 0 CA-C-O 121.992 0.901 . . . . 0.0 110.964 -174.663 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.243 0.718 0 CA-C-O 121.435 0.636 . . . . 0.0 111.904 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 52.26 87.51 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.392 -0.817 . . . . 0.0 111.368 -175.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.508 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -82.56 6.26 18.19 Favored 'General case' 0 C--O 1.259 1.584 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.807 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.2 27.11 22.58 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 107.137 -2.385 . . . . 0.0 107.137 -168.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 48.21 91.03 0.02 OUTLIER 'General case' 0 C--O 1.253 1.245 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -166.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.508 ' HG ' ' HB3' ' A' ' 3' ' ' SER . 3.1 mt -53.42 115.54 1.98 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 124.132 1.92 . . . . 0.0 109.081 -164.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.448 ' C ' ' C ' ' A' ' 48' ' ' FMT . 1.0 OUTLIER -68.24 124.46 23.52 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.511 -165.794 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 56.22 69.65 0.72 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 123.424 1.583 . . . . 0.0 107.193 -165.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.46 ' CD2' ' HB ' ' A' ' 10' ' ' VAL . 0.7 OUTLIER -42.77 153.89 0.07 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 126.493 3.044 . . . . 0.0 117.845 -163.818 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.46 ' HB ' ' CD2' ' A' ' 9' ' ' PHE . 0.8 OUTLIER -24.02 -43.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 C-N-CA 127.674 2.39 . . . . 0.0 113.47 173.758 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.64 88.25 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.251 1.024 . . . . 0.0 109.877 171.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.96 144.21 17.06 Favored Glycine 0 C--N 1.319 -0.388 0 CA-C-O 122.255 0.92 . . . . 0.0 113.318 -171.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.423 ' ND2' ' HD2' ' A' ' 16' ' ' ARG . 11.3 m120 -148.58 109.87 4.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.69 0.757 . . . . 0.0 110.822 -175.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 84.8 mt -106.2 -53.78 2.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.247 1.023 . . . . 0.0 111.137 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.12 30.08 1.72 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.514 0.673 . . . . 0.0 112.389 -174.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HD2' ' ND2' ' A' ' 13' ' ' ASN . 3.7 mtt180 -115.32 -24.78 8.28 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.629 -0.669 . . . . 0.0 111.76 175.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.02 -161.88 0.9 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.994 0.902 . . . . 0.0 110.635 174.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 23' ' ' CYS . 30.1 m -83.53 136.47 34.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.837 0.827 . . . . 0.0 110.574 173.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -80.55 0.08 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.218 1.008 . . . . 0.0 110.939 -175.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -59.58 -172.5 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.521 1.153 . . . . 0.0 110.184 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -72.69 14.38 0.27 Allowed 'General case' 0 C--O 1.251 1.151 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -46.45 68.51 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.193 -0.942 . . . . 0.0 111.229 -178.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 3.1 m -121.45 -23.32 5.68 Favored 'General case' 0 C--O 1.244 0.766 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -175.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.424 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 79.8 p -49.74 107.38 0.15 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.556 0.693 . . . . 0.0 111.385 -174.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.461 ' CD2' ' HG2' ' A' ' 26' ' ' GLU . 5.4 p90 45.8 -161.22 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 123.743 0.817 . . . . 0.0 111.429 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.461 ' HG2' ' CD2' ' A' ' 25' ' ' PHE . 2.8 mm-40 67.04 120.86 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.135 0.969 . . . . 0.0 110.394 -173.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 50.28 68.45 0.76 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.591 1.186 . . . . 0.0 110.26 -173.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.45 177.67 0.18 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 127.106 3.336 . . . . 0.0 115.331 -173.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.538 ' C ' ' H ' ' A' ' 31' ' ' VAL . 29.5 mtm180 -82.39 112.15 19.09 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 109.07 -3.696 . . . . 0.0 111.807 -169.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -83.98 36.99 0.58 Allowed 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 128.218 3.866 . . . . 0.0 102.834 147.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.538 ' H ' ' C ' ' A' ' 29' ' ' ARG . 53.6 t -147.5 12.92 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 129.378 3.071 . . . . 0.0 112.125 -158.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CG ' ' HB2' ' A' ' 29' ' ' ARG . 28.8 m-85 -89.4 14.89 10.17 Favored 'General case' 0 C--O 1.243 0.719 0 O-C-N 120.83 -1.169 . . . . 0.0 112.418 -169.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.432 ' H ' ' HG2' ' A' ' 33' ' ' GLU . 0.5 OUTLIER -120.89 -47.48 2.29 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.796 1.284 . . . . 0.0 110.296 177.313 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -112.43 77.81 1.08 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.185 0.993 . . . . 0.0 110.003 174.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.645 HG23 ' HG2' ' A' ' 36' ' ' GLU . 1.3 t -79.36 -53.5 6.86 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 -171.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.645 ' HG2' HG23 ' A' ' 35' ' ' THR . 1.5 mm-40 -80.2 -0.26 35.46 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 -170.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -83.82 -57.87 3.03 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.331 0.586 . . . . 0.0 110.982 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.2 m -54.92 -101.88 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 171.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.544 ' HA ' ' HE1' ' A' ' 42' ' ' TRP . 1.5 p 28.98 -78.04 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.27 0 CA-C-O 125.85 2.738 . . . . 0.0 117.447 167.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -76.78 -51.5 11.26 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 123.852 1.786 . . . . 0.0 110.999 -175.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CG ' ' N ' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -48.78 -58.23 5.11 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 122.544 1.164 . . . . 0.0 113.081 178.726 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.544 ' HE1' ' HA ' ' A' ' 39' ' ' THR . 5.1 p-90 -70.01 -28.91 65.88 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.892 -170.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.482 ' HG3' ' NE1' ' A' ' 42' ' ' TRP . 21.8 mtmt -75.59 16.58 0.36 Allowed 'General case' 0 C--O 1.242 0.709 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 173.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.16 17.62 23.74 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 122.158 0.98 . . . . 0.0 110.965 172.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -124.56 -29.23 3.49 Favored 'General case' 0 C--O 1.243 0.742 0 O-C-N 121.586 -0.696 . . . . 0.0 111.585 -176.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.0 m -71.82 133.89 30.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 O-C-N 121.445 -0.784 . . . . 0.0 110.151 174.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t0 . . . . . 0 C--O 1.269 2.127 0 CA-C-O 121.993 0.901 . . . . 0.0 110.966 -176.938 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' FMT . . . . . 0.448 ' C ' ' C ' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 48.9 t80 . . . . . 0 C--O 1.239 0.551 0 CA-C-O 121.527 0.679 . . . . 0.0 111.724 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 80.24 59.87 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.243 1.02 . . . . 0.0 111.563 173.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.506 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 54.3 p -91.61 -33.07 15.25 Favored 'General case' 0 C--O 1.251 1.132 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.839 173.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.79 52.11 54.44 Favored Glycine 0 CA--C 1.553 2.449 1 N-CA-C 102.385 -4.286 . . . . 0.0 102.385 -167.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' C ' ' HB2' ' A' ' 3' ' ' SER . 0.2 OUTLIER 64.98 135.46 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 112.302 -1.949 . . . . 0.0 106.135 -162.641 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.976 HD23 ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -74.21 62.74 0.95 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 124.602 2.144 . . . . 0.0 107.669 171.602 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.53 -20.63 39.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 123.91 1.814 . . . . 0.0 109.446 -165.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.469 ' HG2' ' C ' ' A' ' 48' ' ' FMT . 0.7 OUTLIER -139.42 -46.06 0.46 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 123.244 1.497 . . . . 0.0 108.408 172.671 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.976 ' CE2' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -58.26 128.32 36.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.612 170.804 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 9' ' ' PHE . 48.2 t -165.21 -53.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 122.465 1.126 . . . . 0.0 111.223 168.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -95.95 0.0 OUTLIER 'General case' 0 C--O 1.243 0.736 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.793 -171.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.61 -88.38 0.5 Allowed Glycine 0 C--N 1.318 -0.454 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 -172.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -172.27 52.24 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.627 0.727 . . . . 0.0 111.86 174.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.52 -2.85 0.74 Allowed 'General case' 0 C--O 1.249 1.038 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 174.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.15 57.49 0.78 Allowed 'General case' 0 C--N 1.317 -0.837 0 O-C-N 120.955 -1.091 . . . . 0.0 112.015 -174.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.7 64.59 0.99 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.882 0.849 . . . . 0.0 112.29 -173.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -69.78 -1.71 10.04 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 174.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.38 150.35 25.11 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.554 173.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmm -74.84 -83.53 0.06 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.185 0.993 . . . . 0.0 110.119 -174.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HG2' ' HB2' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -61.55 -172.12 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.51 1.148 . . . . 0.0 110.35 175.137 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.88 2.49 6.71 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 175.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.453 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -48.54 -55.51 10.87 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 121.332 -0.855 . . . . 0.0 112.599 -172.16 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -95.89 -78.4 0.46 Allowed 'General case' 0 C--O 1.242 0.662 0 O-C-N 121.908 -0.495 . . . . 0.0 109.927 -176.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 66.3 144.51 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 123.483 1.611 . . . . 0.0 112.999 174.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 170.68 161.02 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.095 173.37 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' N ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER 174.2 -69.21 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.299 1.047 . . . . 0.0 111.043 174.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -136.27 44.43 2.42 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.774 0.797 . . . . 0.0 111.109 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.96 86.11 1.78 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.822 0.82 . . . . 0.0 111.556 175.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -79.82 -132.07 0.02 OUTLIER 'General case' 0 C--O 1.249 1.051 0 O-C-N 121.732 -0.605 . . . . 0.0 110.547 -175.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -91.88 21.58 4.79 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.005 -1.059 . . . . 0.0 112.703 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 t -107.57 26.21 2.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 122.3 1.048 . . . . 0.0 110.267 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -119.1 -23.95 6.65 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -171.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -88.35 -44.59 10.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.032 0.92 . . . . 0.0 111.87 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.83 68.84 1.49 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.127 0.965 . . . . 0.0 110.27 -174.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.453 ' CG2' ' N ' ' A' ' 36' ' ' GLU . 3.7 t -80.42 -57.83 3.41 Favored 'General case' 0 C--O 1.25 1.094 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -171.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.0 OUTLIER -76.13 2.66 12.38 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -172.378 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 -84.35 -64.56 1.14 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 122.573 1.178 . . . . 0.0 110.456 173.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.598 HG22 ' CD1' ' A' ' 42' ' ' TRP . 0.2 OUTLIER -69.35 -173.24 0.53 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.334 178.739 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.575 ' HA ' ' NE1' ' A' ' 42' ' ' TRP . 2.4 m 81.52 -63.63 0.16 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 124.23 1.967 . . . . 0.0 113.998 -172.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -71.4 0.08 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 124.557 2.123 . . . . 0.0 113.461 174.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -47.23 -58.22 4.32 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-N 112.828 -1.987 . . . . 0.0 113.777 -167.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CD1' HG22 ' A' ' 38' ' ' THR . 47.2 p-90 -69.9 -13.28 62.17 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 122.37 1.081 . . . . 0.0 113.084 -172.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.495 ' HD2' ' CH2' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -73.62 21.57 0.08 Allowed 'General case' 0 C--O 1.241 0.61 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 174.114 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.48 14.79 5.5 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.519 0.676 . . . . 0.0 111.983 170.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.72 12.6 0.89 Allowed 'General case' 0 C--O 1.247 0.944 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.44 114.93 5.83 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 122.032 0.92 . . . . 0.0 109.917 -173.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.27 2.176 0 CA-C-O 121.997 0.903 . . . . 0.0 110.936 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' FMT . . . . . 0.469 ' C ' ' HG2' ' A' ' 8' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_