data_2dkl_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 2dkl _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.743 0.306 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.548 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 7.0 p-90 -58.21 -34.69 70.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.548 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 92.6 mt -64.19 -41.93 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.467 ' HE3' ' CE ' ' A' ' 47' ' ' MET . 0.3 OUTLIER -40.42 -43.25 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' ILE . 34.5 t -55.89 -51.46 67.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' SER . 11.8 mtp180 -36.6 -56.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.85 -36.4 79.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 22' ' ' SER . 3.5 mm -64.21 -51.69 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' ILE . 23.9 tptp -35.04 -42.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -65.86 -64.92 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.448 ' N ' HD12 ' A' ' 28' ' ' LEU . 7.5 mp -47.04 -38.15 10.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.417 ' CG2' HG23 ' A' ' 25' ' ' ILE . 67.6 p -69.43 -32.21 71.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -69.34 -36.38 76.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.4 mtm -63.49 -65.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.64 38.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -132.38 145.37 56.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.466 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.3 Cg_endo -69.77 154.96 67.09 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.652 2.234 . . . . 0.0 112.333 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -70.63 -21.3 62.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 3.7 mt-10 -49.2 -64.23 1.28 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.66 0.743 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.76 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.364 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.494 ' O ' ' CD1' ' A' ' 42' ' ' LEU . . . -48.66 -26.2 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -86.24 -31.45 21.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -79.11 -53.6 6.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -57.23 -58.71 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 38' ' ' ALA . 9.9 mt -37.1 -63.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -47.83 -33.01 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 41' ' ' ALA . 4.6 t -87.62 -20.29 26.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.814 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 41' ' ' ALA . 51.4 m-80 -94.41 21.77 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 54.6 38.94 30.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.467 ' CE ' ' HE3' ' A' ' 21' ' ' MET . 4.9 mmt 62.26 45.94 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -110.25 144.32 39.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.409 ' CD1' ' CD1' ' A' ' 28' ' ' LEU . 11.4 tp -88.28 -63.09 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -52.57 -43.08 65.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -60.93 -54.71 41.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . -59.02 -59.69 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 52' ' ' ALA . 63.9 mtp -37.4 -57.18 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.9 m -58.72 -35.63 72.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -69.98 -23.55 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.8 mt -89.71 -32.43 17.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.1 mt -80.78 -38.68 28.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.898 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.739 0.304 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.514 ' CE2' HG13 ' A' ' 20' ' ' ILE . 9.1 p-90 -60.98 -33.51 73.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.514 HG13 ' CE2' ' A' ' 19' ' ' TRP . 87.1 mt -62.83 -48.8 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.9 tpt -34.85 -44.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 25' ' ' ILE . 8.3 t -55.15 -48.88 73.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' ILE . 24.5 mtp85 -38.0 -53.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.55 -32.78 74.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 22' ' ' SER . 3.8 mm -69.11 -43.11 81.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -44.73 -55.45 5.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -47.33 -51.87 18.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD22 ' CB ' ' A' ' 38' ' ' ALA . 10.0 mp -63.0 -59.21 5.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.1 p -46.3 -26.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -75.99 -34.51 59.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 28' ' ' LEU . 32.0 mtm -67.19 -66.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.39 38.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -133.79 143.54 48.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.7 Cg_endo -69.79 160.79 48.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.616 2.21 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -71.42 -29.63 65.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.536 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 7.6 mt-10 -42.16 -64.79 0.61 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.1 Cg_endo -69.77 -50.99 0.41 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.682 2.255 . . . . 0.0 112.306 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.466 ' CB ' HD22 ' A' ' 28' ' ' LEU . . . -42.97 -36.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -75.96 -58.05 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -52.95 -56.75 13.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -47.53 -66.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' ALA . 14.2 mt -35.53 -55.64 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -47.41 -42.28 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' ALA . 33.2 t -80.71 -27.34 36.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -88.55 28.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.5 m120 45.81 41.92 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 18.7 mmt 62.44 38.12 13.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -105.46 142.35 35.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 tp -87.31 -62.74 1.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -45.88 -42.87 13.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -66.1 -45.0 82.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.23 -59.54 4.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 70.4 mtp -42.85 -44.31 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 t -66.75 -44.91 80.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.18 -34.58 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.148 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.46 ' CD1' HD21 ' A' ' 28' ' ' LEU . 6.4 mt -81.08 -39.66 25.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.98 -35.38 76.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.9 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.811 0.339 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.57 ' CH2' ' HD3' ' A' ' 23' ' ' ARG . 11.9 p-90 -60.96 -31.56 71.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.509 HG13 ' CE2' ' A' ' 19' ' ' TRP . 29.6 mt -67.56 -40.07 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.1 tpt -40.25 -39.94 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' ILE . 57.9 m -63.03 -45.67 91.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.57 ' HD3' ' CH2' ' A' ' 19' ' ' TRP . 12.9 mtm180 -36.59 -60.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.464 ' HA ' ' NE2' ' A' ' 27' ' ' GLN . 22.5 mt -57.04 -32.03 65.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' SER . 2.7 mm -69.45 -48.42 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -43.23 -44.45 5.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' A' ' 24' ' ' LEU . 2.8 mp0 -56.52 -38.09 71.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.462 HD23 ' CB ' ' A' ' 38' ' ' ALA . 10.0 mp -80.29 -55.2 5.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.456 ' CG2' HG22 ' A' ' 25' ' ' ILE . 69.5 p -44.97 -34.69 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -80.6 -26.66 37.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 28' ' ' LEU . 17.4 mtp -69.77 -65.45 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.01 35.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.522 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -139.05 145.26 44.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.649 0.738 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.8 Cg_endo -69.75 157.01 61.86 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -68.62 -28.23 66.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.536 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -43.18 -64.84 0.65 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.641 0.734 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.8 Cg_endo -69.75 -50.99 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.462 ' CB ' HD23 ' A' ' 28' ' ' LEU . . . -40.15 -29.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.043 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -84.81 -49.29 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.1 -51.33 69.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -51.3 -69.27 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' ASN . 84.1 mt -36.28 -63.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' LEU . 18.9 mmtp -37.76 -41.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.3 t -82.66 -33.11 27.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' LEU . 44.6 m-80 -85.4 34.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 41.57 38.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.8 mmt 63.78 53.06 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.406 ' CB ' ' HB2' ' A' ' 51' ' ' GLN . 13.1 m120 -118.14 144.21 45.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -86.65 -56.26 3.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.77 -42.66 93.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.406 ' HB2' ' CB ' ' A' ' 48' ' ' ASN . 30.7 mt-30 -68.74 -41.5 78.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.453 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -64.77 -58.61 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 29.2 mtp -38.69 -62.34 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.6 t -46.24 -35.25 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -64.93 -33.49 76.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.085 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 37' ' ' PRO . 19.1 mt -84.09 -40.6 18.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' GLU . 8.9 mt -67.16 -55.35 14.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' LEU . 16.4 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.737 0.303 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.557 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.3 p-90 -57.76 -36.55 72.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.557 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 74.8 mt -60.64 -47.69 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.465 ' CE ' ' HE2' ' A' ' 47' ' ' MET . 14.0 tpp -37.45 -45.22 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.5 m -52.24 -47.6 65.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -41.68 -58.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 mt -56.95 -33.94 67.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.6 mm -67.21 -50.86 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -43.01 -58.59 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -42.65 -41.89 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.462 HD23 ' CB ' ' A' ' 38' ' ' ALA . 9.2 mp -75.41 -57.33 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.1 p -40.72 -37.1 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.42 -42.08 83.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.453 ' CE ' ' HE3' ' A' ' 53' ' ' MET . 4.8 mmt -56.33 -59.33 5.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.04 33.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -128.42 144.1 50.69 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.2 Cg_endo -69.74 155.57 65.64 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -68.98 -25.44 64.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.533 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 1.8 mm-40 -45.67 -64.95 0.74 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.618 0.723 . . . . 0.0 110.899 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.533 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.462 ' CB ' HD23 ' A' ' 28' ' ' LEU . . . -41.04 -28.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -82.29 -62.02 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -50.31 -54.11 23.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.22 -63.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.4 mt -42.55 -47.05 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 1.8 mmmp? -55.11 -34.9 64.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.4 m -94.36 -16.38 23.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -99.93 27.48 5.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 43.37 47.36 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.5 ' N ' ' SD ' ' A' ' 47' ' ' MET . 0.0 OUTLIER 51.24 53.98 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -118.79 123.26 44.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.443 ' CD1' ' CD1' ' A' ' 28' ' ' LEU . 9.9 tp -67.03 -66.83 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -43.34 -46.93 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.98 -49.12 73.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.4 -59.49 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.453 ' HE3' ' CE ' ' A' ' 31' ' ' MET . 31.7 mtp -42.29 -61.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.5 t -57.63 -27.27 62.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.63 -23.94 59.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.402 ' CD2' ' HB2' ' A' ' 37' ' ' PRO . 39.8 mt -92.29 -50.42 5.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' GLU . 5.4 mp -57.61 -47.48 82.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' LEU . 9.0 pt-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.754 0.311 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.562 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.8 p-90 -63.23 -34.13 76.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.562 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 77.3 mt -65.65 -44.96 93.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.415 ' CE ' ' HB2' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -38.9 -40.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 25' ' ' ILE . 30.5 t -58.74 -48.25 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -39.92 -55.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 mt -55.56 -34.97 65.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.431 HG21 ' CG2' ' A' ' 29' ' ' THR . 3.2 mm -64.92 -43.9 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -50.66 -26.0 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -74.73 -37.52 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.463 HD21 ' CB ' ' A' ' 38' ' ' ALA . 10.8 mp -80.68 -45.41 17.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.431 ' CG2' HG21 ' A' ' 25' ' ' ILE . 60.4 p -51.46 -28.9 14.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.22 -37.12 61.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -72.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.69 32.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -130.43 145.56 57.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HG2' ' CG ' ' A' ' 37' ' ' PRO . 54.1 Cg_endo -69.75 174.16 9.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.7 -28.06 26.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.537 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 5.6 mt-10 -44.24 -64.69 0.75 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.688 0.756 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.75 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.463 ' CB ' HD21 ' A' ' 28' ' ' LEU . . . -45.98 -23.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -88.4 -52.95 4.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 6.1 pt-20 -57.75 -45.88 85.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.45 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -56.85 -58.81 6.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.415 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 33.3 mt -41.14 -54.51 2.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -46.53 -42.81 16.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 m -81.47 -26.15 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -90.68 30.26 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 43.99 40.21 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.7 mmt 63.3 37.76 10.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -102.29 144.53 30.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -85.56 -67.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.46 -47.24 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -63.87 -38.07 89.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.6 -60.8 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 44.2 mtp -44.29 -62.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 t -47.36 -48.04 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.84 -30.54 23.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.421 ' CD1' HD23 ' A' ' 28' ' ' LEU . 3.0 mt -91.44 -61.48 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mt -47.59 -29.27 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.92 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.804 0.335 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.559 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 7.0 p-90 -54.84 -35.54 64.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.559 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 86.7 mt -62.92 -48.41 88.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -35.63 -43.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.8 m -56.52 -47.92 78.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' ILE . 29.3 mtp180 -39.79 -57.74 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.0 mt -57.37 -42.1 81.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.6 mm -54.26 -50.98 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 27' ' ' GLN . 42.5 tptt -41.21 -61.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' LYS . 15.2 mm100 -38.01 -38.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 38' ' ' ALA . 11.0 mp -79.8 -52.46 7.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.6 p -44.62 -29.54 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -80.26 -32.25 38.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' LEU . 17.4 mtt -65.23 -66.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.71 37.55 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -140.61 142.91 30.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.73 166.18 28.44 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -75.1 -32.38 61.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.543 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.2 mt-10 -40.13 -65.1 0.47 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.694 0.759 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.71 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.468 ' CB ' HD21 ' A' ' 28' ' ' LEU . . . -45.25 -22.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -90.3 -55.04 3.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 6.1 pt-20 -54.98 -43.5 73.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -62.13 -60.87 2.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 41' ' ' ALA . 26.6 mt -36.04 -54.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -47.0 -43.25 19.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ALA . 48.7 m -83.89 -17.8 39.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -94.91 32.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 41.4 34.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 11.3 mmt 62.52 51.88 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -118.96 148.68 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 tp -87.99 -59.84 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -53.48 -42.42 67.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -66.91 -49.34 65.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.41 -56.12 26.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 20.2 mtp -45.93 -61.39 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.8 t -50.85 -40.9 57.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.26 -34.21 70.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 mt -84.01 -40.47 18.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.3 -45.24 94.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.778 0.323 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.566 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.6 p-90 -56.15 -35.96 67.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.566 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 85.6 mt -62.2 -49.36 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -34.41 -44.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' ARG . 24.1 t -54.41 -49.72 69.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ILE . 22.4 mtp85 -37.58 -58.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.1 mt -57.02 -38.31 72.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.434 HG23 ' CG2' ' A' ' 29' ' ' THR . 11.1 mm -61.47 -52.97 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ILE . 43.9 tptt -36.54 -62.46 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -38.36 -43.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' MET . 10.0 mp -74.52 -58.59 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.434 ' CG2' HG23 ' A' ' 25' ' ' ILE . 58.3 p -39.33 -36.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.95 -40.49 78.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 28' ' ' LEU . 9.7 mtt -57.48 -64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.76 36.1 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -132.39 142.72 45.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.684 0.754 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.74 157.27 61.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -68.22 -29.38 68.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.536 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -42.15 -64.7 0.63 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.925 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.8 Cg_endo -69.83 -50.96 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.298 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.91 -40.57 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -72.3 -48.42 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -59.91 -59.28 5.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -46.33 -64.66 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 45' ' ' ASN . 16.1 mt -35.53 -64.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.407 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 32.4 mttp -38.87 -39.55 0.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 41' ' ' ALA . 16.2 m -83.16 -31.75 26.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' LEU . 59.9 m-80 -86.49 34.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 41.52 36.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.431 ' SD ' ' CE ' ' A' ' 21' ' ' MET . 12.1 mmt 65.56 46.72 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -110.71 152.66 26.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.2 tp -91.93 -61.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -54.77 -42.48 71.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -64.13 -47.57 79.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.457 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -63.79 -60.62 3.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 55.7 mtp -38.38 -64.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -48.81 -35.57 14.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.63 -34.71 78.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.5 mt -83.92 -38.64 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' GLU . 6.8 mt -70.1 -53.71 16.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.0 pp20? . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.763 0.316 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.531 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 7.8 p-90 -55.93 -34.07 65.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.531 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 86.5 mt -65.1 -47.5 87.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.476 ' SD ' ' CE ' ' A' ' 47' ' ' MET . 1.4 tpt -35.59 -42.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' ILE . 22.5 t -57.59 -49.71 75.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' ILE . 31.0 mtp180 -37.17 -54.35 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.58 -39.54 91.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' SER . 9.5 mm -57.22 -48.05 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -42.11 -63.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -38.26 -46.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.462 HD21 ' CB ' ' A' ' 38' ' ' ALA . 9.9 mp -69.18 -56.22 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.5 p -51.01 -18.1 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.8 -29.14 24.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 13.8 mtt -72.55 -56.27 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.79 38.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -134.18 143.5 47.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.671 0.748 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 54.1 Cg_endo -69.73 156.67 62.8 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.753 2.302 . . . . 0.0 112.324 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -69.32 -26.66 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.6 mm-40 -44.6 -65.17 0.66 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.657 0.741 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 54.0 Cg_endo -69.74 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.462 ' CB ' HD21 ' A' ' 28' ' ' LEU . . . -41.99 -39.07 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -73.45 -49.63 25.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.07 -58.76 7.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -43.99 -65.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' ALA . 19.3 mt -35.3 -59.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -43.67 -41.13 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' ALA . 20.3 m -81.29 -27.95 34.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -90.42 30.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 45.52 38.39 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.476 ' CE ' ' SD ' ' A' ' 21' ' ' MET . 11.4 mmt 64.23 40.37 6.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -104.95 142.01 35.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.9 tp -82.96 -66.32 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.4 -45.56 17.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -65.44 -47.23 76.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.14 -58.73 7.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.8 mtp -43.53 -59.68 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 t -52.29 -47.21 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.55 -31.59 36.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.1 mt -86.16 -57.33 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.3 mt -46.66 -43.36 17.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.564 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.2 p-90 -62.27 -35.86 80.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.564 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 90.4 mt -62.39 -41.02 90.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.46 ' CE ' ' HG2' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -42.54 -39.6 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' ILE . 3.4 p -58.09 -51.54 69.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' SER . 18.7 mtp85 -37.53 -52.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.02 -40.33 97.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' SER . 4.6 mm -59.71 -50.47 79.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -42.88 -58.99 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -41.22 -38.03 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.465 HD22 ' CB ' ' A' ' 38' ' ' ALA . 10.7 mp -79.97 -52.99 7.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.9 p -43.16 -37.58 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -71.51 -34.78 70.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' LEU . 19.8 mtt -62.35 -65.39 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.451 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 161.02 41.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 8.9 m-85 -141.81 143.7 29.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.675 0.75 . . . . 0.0 110.844 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.8 Cg_endo -69.81 159.06 54.76 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -70.27 -28.55 65.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.529 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 3.4 mm-40 -42.87 -64.47 0.72 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.699 0.762 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.77 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.496 ' O ' ' CD1' ' A' ' 42' ' ' LEU . . . -47.67 -20.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -87.74 -56.56 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 4.6 pt-20 -59.73 -47.59 85.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.489 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -50.63 -64.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 38' ' ' ALA . 21.3 mt -43.19 -65.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.46 ' HG2' ' CE ' ' A' ' 21' ' ' MET . 2.4 mmmp? -42.04 -25.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' LEU . 1.3 t -95.14 -29.82 14.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 42' ' ' LEU . 49.6 m-80 -92.05 25.75 2.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 m120 57.54 40.96 26.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.419 ' N ' ' SD ' ' A' ' 47' ' ' MET . 8.7 mmm 60.11 44.4 13.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.433 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 3.0 m-20 -107.13 148.74 28.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.2 tp -92.86 -59.45 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -55.51 -44.09 76.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -64.71 -47.96 76.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' MET . . . -61.92 -59.52 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 52' ' ' ALA . 42.9 mtp -35.07 -59.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.9 t -50.76 -52.85 36.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.49 -16.79 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.402 ' CD1' HD21 ' A' ' 28' ' ' LEU . 21.6 mt -92.43 -47.21 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 58' ' ' GLU . 5.3 mp -66.1 -38.59 88.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' LEU . 8.9 mt-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.759 0.314 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.49 ' CE2' HG13 ' A' ' 20' ' ' ILE . 8.2 p-90 -61.28 -33.99 74.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.49 HG13 ' CE2' ' A' ' 19' ' ' TRP . 67.3 mt -63.5 -45.89 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.467 ' CE ' ' HE1' ' A' ' 47' ' ' MET . 18.9 tpp -37.08 -43.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' ARG . 4.4 m -56.84 -49.9 74.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' SER . 36.3 mtp180 -36.72 -59.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.8 mt -58.73 -38.8 79.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.418 HG22 ' CG2' ' A' ' 29' ' ' THR . 5.0 mm -60.5 -52.27 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -41.03 -60.8 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -40.47 -40.96 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.458 HD22 ' CB ' ' A' ' 38' ' ' ALA . 10.0 mp -76.76 -51.97 10.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.418 ' CG2' HG22 ' A' ' 25' ' ' ILE . 58.9 p -47.93 -24.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -84.66 -31.23 24.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 62.1 mtm -66.75 -64.92 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.66 39.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -137.84 144.02 42.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.711 0.767 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 54.5 Cg_endo -69.74 157.34 60.76 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.0 ptt-85 -70.07 -26.47 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.4 mt-10 -44.79 -65.11 0.67 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.683 0.754 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.4 Cg_endo -69.8 -50.83 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.458 ' CB ' HD22 ' A' ' 28' ' ' LEU . . . -42.91 -25.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -85.13 -61.08 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 7.3 pt-20 -51.09 -46.69 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -53.6 -68.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 45' ' ' ASN . 94.0 mt -39.07 -56.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.8 mmmm -42.24 -38.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -94.04 -19.89 20.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' LEU . 71.2 m-80 -96.55 24.88 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.0 m120 44.14 49.71 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.493 ' N ' ' SD ' ' A' ' 47' ' ' MET . 0.0 OUTLIER 48.57 54.54 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.416 ' CB ' ' HB2' ' A' ' 51' ' ' GLN . 37.3 m-20 -115.07 130.53 56.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 tp -77.43 -56.27 4.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -55.6 -41.4 73.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.416 ' HB2' ' CB ' ' A' ' 48' ' ' ASN . 39.2 mm-40 -73.43 -47.3 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 48' ' ' ASN . . . -56.22 -52.22 65.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.6 mtp -47.77 -59.71 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 t -51.24 -43.44 61.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.48 -31.4 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 mt -88.26 -42.29 12.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.65 -31.07 70.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.764 0.316 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.511 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 7.5 p-90 -59.57 -34.43 72.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.511 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 74.4 mt -63.72 -48.27 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.132 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.463 ' CE ' ' HE1' ' A' ' 47' ' ' MET . 9.0 tpp -34.74 -44.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' ILE . 3.7 m -54.89 -50.89 67.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ILE . 17.8 mtp85 -38.2 -56.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.7 mt -58.24 -37.46 74.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 22' ' ' SER . 4.2 mm -64.95 -50.97 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.8 tttt -43.18 -51.67 5.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -48.74 -35.17 13.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 38' ' ' ALA . 10.1 mp -83.52 -50.5 8.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.3 p -48.0 -24.49 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -84.12 -34.0 24.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 15.0 mtt -63.95 -64.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 161.53 40.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 10.8 m-85 -140.66 143.82 33.82 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.468 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 54.0 Cg_endo -69.74 156.86 62.32 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.679 2.253 . . . . 0.0 112.398 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -68.99 -27.67 65.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.543 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 1.9 mm-40 -43.75 -65.34 0.6 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.645 0.736 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.75 -50.94 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.466 ' CB ' HD21 ' A' ' 28' ' ' LEU . . . -41.7 -25.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.066 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' PRO . 12.2 tt0 -84.23 -62.48 1.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 5.8 pt-20 -50.26 -43.86 53.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -57.23 -68.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' ALA . 72.3 mt -34.87 -49.91 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 19.0 mmtp -46.37 -46.39 18.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ALA . 23.3 t -87.03 -20.29 27.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.456 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 46.9 m-80 -91.82 16.03 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 63.1 t30 53.43 47.35 24.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.479 ' N ' ' SD ' ' A' ' 47' ' ' MET . 0.0 OUTLIER 48.43 50.31 16.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.25 148.43 42.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.428 ' CD1' ' CD1' ' A' ' 28' ' ' LEU . 7.9 tp -86.75 -47.28 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.7 -37.62 84.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.421 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 17.7 mm100 -79.9 -40.07 29.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -65.55 -51.39 60.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.407 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 48.8 mtp -49.82 -62.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 t -52.31 -36.43 53.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.91 -28.36 69.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 37' ' ' PRO . 60.4 mt -92.31 -51.23 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' GLU . 5.4 mp -56.49 -46.69 80.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 pp20? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.726 0.298 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.549 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 8.5 p-90 -61.32 -35.25 76.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.549 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 91.2 mt -63.28 -47.59 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -35.6 -43.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.84 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.7 m -56.99 -49.72 74.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.794 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' ILE . 13.1 mtp180 -39.61 -57.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.7 mt -57.67 -39.17 76.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.431 HG22 ' CG2' ' A' ' 29' ' ' THR . 3.5 mm -61.27 -56.58 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -35.51 -59.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -41.34 -43.67 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.437 HD22 ' CB ' ' A' ' 38' ' ' ALA . 8.5 mp -74.29 -51.84 14.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.431 ' CG2' HG22 ' A' ' 25' ' ' ILE . 39.6 p -51.58 -21.94 2.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -84.91 -25.44 27.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.0 mtm -73.71 -69.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.13 30.16 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -131.59 145.99 59.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CG ' ' A' ' 37' ' ' PRO . 53.4 Cg_endo -69.77 178.53 4.48 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.306 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -25.78 21.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.542 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 5.8 mt-10 -46.73 -64.97 0.78 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.83 -50.87 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.344 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.437 ' CB ' HD22 ' A' ' 28' ' ' LEU . . . -46.84 -24.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -87.6 -56.97 3.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -53.24 -40.49 64.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -60.36 -71.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 41' ' ' ALA . 58.0 mt -34.71 -49.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -43.76 -47.72 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' ALA . 6.1 t -89.42 -21.18 23.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -90.39 27.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.9 m120 42.33 45.73 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.499 ' N ' ' SD ' ' A' ' 47' ' ' MET . 0.0 OUTLIER 50.66 53.56 12.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -112.83 132.81 55.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.3 tp -76.2 -62.21 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -50.04 -45.04 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -64.79 -51.51 61.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.8 -57.01 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.3 mtp -44.47 -53.99 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.8 t -58.95 -35.7 73.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.3 -36.3 83.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 37' ' ' PRO . 8.2 mt -82.11 -39.21 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mt -64.73 -47.83 76.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.56 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.8 p-90 -63.32 -34.78 78.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.56 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 85.1 mt -64.26 -46.51 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.459 ' HE1' ' CG ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -38.48 -40.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -59.0 -44.35 91.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' ILE . 29.6 mtp180 -44.72 -49.03 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.8 mt -65.02 -30.05 71.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.5 mm -67.06 -47.85 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -41.3 -61.31 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -41.17 -52.08 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.471 HD23 ' CB ' ' A' ' 38' ' ' ALA . 9.9 mp -62.98 -50.41 70.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.0 p -56.42 -20.64 20.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.08 -15.15 34.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 71.1 mtp -85.5 -64.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 165.59 39.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.534 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 14.4 m-85 -141.19 143.03 29.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.627 0.727 . . . . 0.0 110.94 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.3 Cg_endo -69.77 163.15 39.36 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.4 ptt-85 -71.95 -32.75 67.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.55 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.1 mt-10 -39.79 -65.53 0.42 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.7 Cg_endo -69.8 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.329 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.471 ' CB ' HD23 ' A' ' 28' ' ' LEU . . . -40.41 -40.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -78.52 -56.08 4.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.62 -59.03 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -51.92 -63.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' ALA . 18.2 mt -35.02 -60.07 0.47 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.459 ' CG ' ' HE1' ' A' ' 21' ' ' MET . 21.2 mtpt -43.8 -48.06 8.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.9 m -77.82 -20.89 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 68.4 m-80 -94.35 30.97 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 m120 42.2 36.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.411 ' CE ' ' CE ' ' A' ' 21' ' ' MET . 11.3 mmt 65.54 43.48 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -106.43 137.08 45.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -82.67 -63.86 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -48.55 -45.6 37.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -66.23 -42.76 88.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.415 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -62.65 -59.57 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 58.3 mtp -43.12 -59.72 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.8 t -53.84 -38.37 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.76 -23.41 67.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.6 mt -91.75 -53.39 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 58' ' ' GLU . 7.8 mt -55.73 -53.33 57.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.5 pp20? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.79 0.329 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.553 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 5.9 p-90 -49.81 -36.84 27.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.553 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 97.4 mt -60.31 -45.34 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.4 tpp -38.86 -42.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 23' ' ' ARG . 3.7 p -54.61 -51.76 64.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' SER . 35.1 mtp180 -36.32 -57.68 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.62 -40.52 79.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' SER . 13.1 mm -56.19 -54.79 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -36.24 -61.58 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.874 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -41.99 -54.34 3.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.443 ' HA ' ' CE ' ' A' ' 31' ' ' MET . 9.9 mp -61.0 -54.67 42.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.3 p -51.81 -27.97 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.3 -25.9 46.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 28' ' ' LEU . 39.1 mtm -74.68 -59.88 2.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.27 39.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -138.06 143.57 40.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.677 0.751 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.466 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.76 160.04 51.19 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.667 2.245 . . . . 0.0 112.387 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 ptt85 -71.07 -29.29 65.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.544 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 5.5 mm-40 -42.45 -65.41 0.54 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.636 0.731 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.8 Cg_endo -69.73 -50.98 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.429 ' CB ' HD21 ' A' ' 28' ' ' LEU . . . -41.47 -35.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.078 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -76.89 -56.92 4.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -54.81 -56.01 24.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -47.23 -68.05 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' ASN . 8.8 mt -35.03 -65.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -41.07 -38.62 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 41' ' ' ALA . 29.8 m -81.13 -31.97 33.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.808 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' LEU . 60.8 m-80 -85.32 26.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 49.44 46.04 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 2.4 mmt 57.13 46.31 19.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -112.8 139.04 48.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.3 tp -86.85 -61.32 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -50.43 -44.13 55.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -62.6 -47.64 82.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' MET . . . -61.58 -60.7 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' ALA . 67.3 mtp -35.58 -47.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.9 p -67.69 -45.11 76.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -57.44 -34.46 68.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.442 ' CD1' HD23 ' A' ' 28' ' ' LEU . 4.8 mt -83.23 -46.07 13.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' GLU . 10.7 mt -58.15 -46.28 85.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' LEU . 3.1 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.722 0.296 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.513 ' CE2' HG13 ' A' ' 20' ' ' ILE . 9.2 p-90 -57.15 -32.02 65.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.513 HG13 ' CE2' ' A' ' 19' ' ' TRP . 96.4 mt -65.89 -39.31 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.23 -40.86 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ILE . 5.3 t -58.44 -48.18 81.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -39.18 -56.04 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.16 -35.82 76.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.458 HG22 ' CG2' ' A' ' 29' ' ' THR . 4.4 mm -65.2 -54.23 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ILE . 63.1 tttt -37.64 -55.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -45.03 -42.03 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.463 HD22 ' CD1' ' A' ' 56' ' ' LEU . 10.2 mp -76.3 -46.65 26.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.458 ' CG2' HG22 ' A' ' 25' ' ' ILE . 19.9 p -53.49 -27.99 28.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -84.25 -22.65 30.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 37.9 mtm -74.18 -69.41 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.8 34.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -140.31 143.16 32.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.3 Cg_endo -69.76 168.14 22.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -76.89 -32.46 57.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.539 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 8.6 mt-10 -40.12 -64.8 0.5 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.633 0.73 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.72 -50.99 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.64 -21.9 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -89.8 -51.45 5.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 4.8 pt-20 -60.77 -48.19 82.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -56.71 -62.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.7 mt -38.56 -49.62 1.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -49.16 -41.01 35.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' ALA . 19.6 m -87.99 -13.18 42.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 51' ' ' GLN . 38.8 m-80 -100.81 32.44 3.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 42.1 36.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 10.5 mmt 60.24 51.82 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -117.16 153.91 32.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.5 tp -92.74 -45.69 7.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.88 -37.09 85.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.446 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 7.4 mm100 -79.61 -41.5 26.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.409 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -66.41 -50.16 64.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 45.1 mtp -51.42 -56.01 15.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.3 t -55.96 -34.79 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.78 -33.25 75.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.463 ' CD1' HD22 ' A' ' 28' ' ' LEU . 15.2 mt -86.0 -42.81 13.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.49 -48.87 68.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.818 0.342 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.551 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.9 p-90 -61.91 -34.66 76.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.551 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 98.8 mt -64.49 -45.82 94.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.154 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -36.7 -45.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' ILE . 15.3 t -54.66 -49.04 71.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.419 ' HD2' ' CZ3' ' A' ' 19' ' ' TRP . 28.2 mtp180 -37.62 -54.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.7 mt -64.34 -35.41 80.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' SER . 3.1 mm -65.22 -35.65 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -55.2 -46.22 75.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -55.81 -45.14 78.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 56' ' ' LEU . 9.1 mp -69.48 -58.1 4.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.0 p -48.71 -22.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.68 -32.52 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.8 mtm -71.24 -72.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.09 41.74 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -139.05 143.64 37.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.4 Cg_endo -69.81 167.59 24.07 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.707 2.272 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -77.74 -29.5 51.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.554 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.4 mp0 -42.72 -65.57 0.53 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.741 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.6 Cg_endo -69.75 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.393 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.446 ' CB ' HD21 ' A' ' 28' ' ' LEU . . . -44.33 -29.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.064 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -82.98 -58.85 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -50.22 -40.29 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -68.51 -69.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 41' ' ' ALA . 16.2 mt -34.78 -47.26 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -52.4 -45.9 66.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' ALA . 31.7 m -85.72 -13.92 46.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.453 ' OD1' ' C ' ' A' ' 51' ' ' GLN . 30.4 m-80 -95.75 34.78 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 39.84 35.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.411 ' CE ' ' HE2' ' A' ' 21' ' ' MET . 6.2 mmt 61.13 47.4 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -112.35 152.2 28.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.6 tp -91.79 -46.95 7.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.79 -37.2 86.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.453 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 34.1 mt-30 -78.85 -39.24 35.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.47 -53.38 23.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.1 mtp -47.94 -59.31 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 t -45.92 -46.5 16.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.17 -32.1 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 28' ' ' LEU . 10.2 mt -87.88 -51.35 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 58' ' ' GLU . 13.2 mt -54.4 -57.4 11.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 57' ' ' LEU . 47.0 mm-40 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.535 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 8.4 p-90 -62.32 -34.47 76.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.535 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 98.6 mt -64.46 -46.13 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.432 ' HE1' ' CD1' ' A' ' 42' ' ' LEU . 3.7 tpt -38.0 -40.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' ILE . 23.0 t -58.85 -45.87 89.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' ILE . 22.2 mtp180 -42.69 -49.47 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.47 -30.24 71.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.462 HG22 ' CG2' ' A' ' 29' ' ' THR . 4.2 mm -70.6 -51.68 35.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -40.42 -47.95 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -52.51 -38.42 59.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 38' ' ' ALA . 9.5 mp -80.83 -47.39 13.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.462 ' CG2' HG22 ' A' ' 25' ' ' ILE . 51.8 p -48.85 -19.51 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.86 -37.5 17.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -64.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.44 33.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -136.18 143.53 44.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 37' ' ' PRO . 53.7 Cg_endo -69.77 176.16 7.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.699 2.266 . . . . 0.0 112.349 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -85.13 -30.5 23.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.544 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 9.5 mt-10 -42.31 -65.29 0.54 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.62 0.724 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.79 -50.37 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.323 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.5 ' O ' ' CD1' ' A' ' 42' ' ' LEU . . . -47.17 -25.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.06 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -82.37 -44.36 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.81 -53.4 33.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.92 -63.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 38' ' ' ALA . 23.1 mt -40.78 -54.92 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -44.28 -36.41 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -92.79 -17.31 24.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.467 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 53.6 m-80 -98.55 37.77 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 40.25 32.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 13.2 mmt 65.09 46.88 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -110.66 153.25 25.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.5 tp -93.34 -46.2 7.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.43 -37.26 86.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -76.81 -40.64 47.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -70.25 -53.16 18.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 51.3 mtp -48.4 -50.41 30.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -62.25 -35.67 79.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.92 -27.56 69.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 mt -92.05 -41.61 10.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' GLU . 4.7 mt -70.2 -52.9 19.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' LEU . 3.1 pp20? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.765 0.317 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.564 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 8.0 p-90 -63.56 -35.94 82.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.564 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 83.7 mt -62.26 -43.14 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -40.91 -40.58 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.9 t -58.13 -46.19 86.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -42.22 -54.26 3.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 70.4 mt -61.52 -40.33 94.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.8 mm -58.96 -51.22 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -41.17 -57.7 2.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -43.62 -35.41 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 38' ' ' ALA . 9.9 mp -82.64 -42.64 17.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.1 p -55.16 -25.02 29.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -83.71 -30.53 26.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.4 mtm -66.58 -65.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.11 32.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -135.71 141.06 35.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.682 0.753 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.8 Cg_endo -69.72 158.75 55.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.436 ' HG2' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -69.53 -29.81 67.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 11.2 mm-40 -41.88 -65.29 0.52 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.615 0.721 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.6 Cg_endo -69.74 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.734 2.289 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.468 ' CB ' HD21 ' A' ' 28' ' ' LEU . . . -48.12 -21.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -88.88 -48.54 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 4.4 pt-20 -63.6 -46.28 86.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -58.84 -63.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 41' ' ' ALA . 11.6 mt -34.99 -59.99 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -42.9 -41.6 3.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' ALA . 67.7 m -85.34 -20.35 30.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.46 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 33.7 m-80 -93.69 35.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 41.81 44.92 2.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.418 ' SD ' ' CE ' ' A' ' 21' ' ' MET . 10.3 mmt 48.17 53.72 11.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.6 149.15 45.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.9 tp -85.92 -48.02 9.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.12 -37.81 84.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.44 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 36.9 mt-30 -77.58 -44.46 28.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.46 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -58.98 -51.42 70.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.093 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 18.2 mtp -50.44 -59.62 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 t -48.76 -40.26 28.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.02 -29.81 65.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.456 ' CD1' HD23 ' A' ' 28' ' ' LEU . 7.1 mt -90.61 -41.54 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.5 mt -62.04 -33.4 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.962 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.412 ' OE1' ' C ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.753 0.311 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.562 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 5.9 p-90 -65.47 -36.32 83.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.562 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 70.5 mt -61.62 -44.45 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.161 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.6 tpt -40.76 -38.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 25' ' ' ILE . 25.0 p -58.75 -50.59 73.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.413 ' HD2' ' CH2' ' A' ' 19' ' ' TRP . 50.2 mtp180 -37.73 -56.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' CB ' HD11 ' A' ' 42' ' ' LEU . 47.9 mt -57.72 -32.81 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 22' ' ' SER . 4.7 mm -68.93 -50.32 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -38.42 -56.43 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -45.09 -41.59 7.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 38' ' ' ALA . 10.0 mp -76.36 -55.13 5.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.47 ' CG2' HG22 ' A' ' 25' ' ' ILE . 72.4 p -44.56 -31.03 1.0 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.52 -31.83 47.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 28' ' ' LEU . 81.7 mtp -66.54 -69.18 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 167.59 38.98 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -139.34 144.42 40.08 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.2 Cg_endo -69.79 162.85 40.51 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.641 2.228 . . . . 0.0 112.336 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -72.84 -30.73 64.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.551 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 17.3 mm-40 -41.41 -65.39 0.49 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.645 0.736 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.7 Cg_endo -69.74 -51.01 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.24 . . . . 0.0 112.334 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.466 ' CB ' HD21 ' A' ' 28' ' ' LEU . . . -39.75 -31.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -83.27 -60.14 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -50.14 -50.41 48.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.23 -67.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.427 HD11 ' CB ' ' A' ' 24' ' ' LEU . 15.2 mt -40.56 -52.59 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -47.81 -42.35 25.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -86.41 -19.85 29.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 45.0 m-80 -92.86 29.09 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 43.48 41.0 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.7 mmt 61.58 51.12 4.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.434 ' CB ' ' HB2' ' A' ' 51' ' ' GLN . 9.2 m120 -117.58 131.23 56.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -79.78 -56.62 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -41.5 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.434 ' HB2' ' CB ' ' A' ' 48' ' ' ASN . 30.8 mm-40 -67.59 -51.52 49.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.409 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -58.62 -56.13 26.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 49.7 mtp -41.93 -59.64 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.1 t -53.43 -40.08 64.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.14 -27.45 69.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.419 ' CD2' ' HB2' ' A' ' 37' ' ' PRO . 4.6 mt -88.64 -37.05 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 58' ' ' GLU . 7.2 mt -73.84 -55.0 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 pp20? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.777 0.322 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.519 ' CE2' HG13 ' A' ' 20' ' ' ILE . 7.9 p-90 -59.27 -33.73 71.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.519 HG13 ' CE2' ' A' ' 19' ' ' TRP . 89.8 mt -64.21 -47.6 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.459 ' CE ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -34.62 -44.52 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' ILE . 6.2 t -56.04 -51.63 67.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' SER . 24.4 mtp180 -35.68 -55.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.17 -39.78 95.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.458 HG21 ' CG2' ' A' ' 29' ' ' THR . 3.7 mm -59.42 -48.29 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' ILE . 14.3 ttmm -37.62 -56.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -42.71 -48.95 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 31' ' ' MET . 10.9 mp -70.83 -53.45 15.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.458 ' CG2' HG21 ' A' ' 25' ' ' ILE . 44.5 p -42.7 -34.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.54 -29.22 33.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 28' ' ' LEU . 9.9 mtt -65.8 -69.04 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.419 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 170.3 38.86 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 2.3 m-85 -147.3 141.66 16.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.77 157.95 58.61 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.647 2.231 . . . . 0.0 112.369 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -68.4 -30.48 69.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.542 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -41.31 -65.34 0.49 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 110.895 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.6 Cg_endo -69.74 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.463 ' CB ' HD23 ' A' ' 28' ' ' LEU . . . -46.35 -22.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -86.15 -55.06 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -58.16 -41.88 84.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -62.24 -61.15 2.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.459 HD13 ' CE ' ' A' ' 21' ' ' MET . 29.5 mt -36.74 -55.82 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.426 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 9.0 mtpm? -44.63 -44.29 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' ALA . 20.8 m -81.84 -16.25 51.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.449 ' OD1' ' C ' ' A' ' 51' ' ' GLN . 31.6 m-80 -99.99 33.73 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.6 m120 47.17 35.81 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.426 ' CE ' ' HA ' ' A' ' 43' ' ' LYS . 11.1 mmt 57.77 44.91 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.451 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 8.5 t-20 -110.43 157.79 19.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.1 tp -93.91 -47.97 6.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -64.22 -37.52 87.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.449 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 18.1 mm-40 -78.2 -41.86 33.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.433 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -63.41 -52.25 62.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.8 mtp -50.06 -58.4 5.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 t -50.27 -29.5 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.46 -34.13 73.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.45 ' CD1' HD22 ' A' ' 28' ' ' LEU . 27.0 mt -85.58 -54.16 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.8 mt -48.04 -47.06 33.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.897 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -160.3 106.58 1.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.5 p -93.02 157.57 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.72 163.14 2.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 p -158.77 144.47 16.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.392 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 t -110.34 159.93 17.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.75 -161.63 8.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.24 141.79 15.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.534 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -125.23 164.66 19.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -151.98 176.44 11.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.7 p -135.8 174.27 10.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -51.19 118.64 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.13 165.68 8.81 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -37.74 144.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -92.39 90.28 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.551 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 5.0 m-20 -121.6 122.99 40.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -50.31 -29.26 9.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.09 -62.24 1.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.551 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 7.0 p-90 -58.21 -34.69 70.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.548 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 92.6 mt -64.19 -41.93 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.467 ' HE3' ' CE ' ' A' ' 47' ' ' MET . 0.3 OUTLIER -40.42 -43.25 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' ILE . 34.5 t -55.89 -51.46 67.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' SER . 11.8 mtp180 -36.6 -56.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.85 -36.4 79.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 22' ' ' SER . 3.5 mm -64.21 -51.69 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' ILE . 23.9 tptp -35.04 -42.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -65.86 -64.92 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.448 ' N ' HD12 ' A' ' 28' ' ' LEU . 7.5 mp -47.04 -38.15 10.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.417 ' CG2' HG23 ' A' ' 25' ' ' ILE . 67.6 p -69.43 -32.21 71.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -69.34 -36.38 76.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.4 mtm -63.49 -65.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.64 38.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -132.38 145.37 56.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.466 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.3 Cg_endo -69.77 154.96 67.09 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.652 2.234 . . . . 0.0 112.333 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -70.63 -21.3 62.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 3.7 mt-10 -49.2 -64.23 1.28 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.66 0.743 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.76 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.364 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.494 ' O ' ' CD1' ' A' ' 42' ' ' LEU . . . -48.66 -26.2 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -86.24 -31.45 21.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -79.11 -53.6 6.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -57.23 -58.71 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 38' ' ' ALA . 9.9 mt -37.1 -63.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -47.83 -33.01 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 41' ' ' ALA . 4.6 t -87.62 -20.29 26.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.814 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 41' ' ' ALA . 51.4 m-80 -94.41 21.77 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 54.6 38.94 30.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.467 ' CE ' ' HE3' ' A' ' 21' ' ' MET . 4.9 mmt 62.26 45.94 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -110.25 144.32 39.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.409 ' CD1' ' CD1' ' A' ' 28' ' ' LEU . 11.4 tp -88.28 -63.09 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -52.57 -43.08 65.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -60.93 -54.71 41.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . -59.02 -59.69 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 52' ' ' ALA . 63.9 mtp -37.4 -57.18 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.9 m -58.72 -35.63 72.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -69.98 -23.55 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.8 mt -89.71 -32.43 17.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.1 mt -80.78 -38.68 28.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' OE2' ' CE ' ' A' ' 59' ' ' LYS . 1.1 pp20? -48.05 -32.82 7.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' CE ' ' OE2' ' A' ' 58' ' ' GLU . 6.8 mmpt? -51.23 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -114.46 141.89 47.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.5 t -87.11 105.13 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -97.9 167.51 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.4 t -76.1 -51.49 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -54.74 161.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -120.57 169.6 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -62.02 173.49 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.78 142.51 3.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.2 mt -104.6 107.2 18.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.353 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 44.45 -141.12 3.59 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.458 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' THR . 9.0 p -41.94 -36.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.403 . . . . 0.0 111.146 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 70' ' ' VAL . 12.0 t 35.14 40.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -94.54 106.48 18.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.4 ' CD2' ' H ' ' A' ' 73' ' ' HIS . 21.7 m-70 -42.82 141.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -134.29 141.99 47.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.09 55.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.43 ' HG3' ' N ' ' A' ' 77' ' ' ALA . 7.4 tpt -123.98 151.11 44.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 76' ' ' MET . . . -170.2 111.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.53 104.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 80' ' ' SER . 16.6 tptm -161.01 153.17 20.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 79' ' ' LYS . 78.6 p -140.45 133.53 29.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -127.95 79.75 0.37 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 151.0 68.71 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.313 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.9 m -98.26 167.23 10.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -116.64 -52.21 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.819 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -129.79 147.42 51.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m -145.74 147.68 32.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.24 50.29 0.62 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 m -149.69 135.72 18.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.908 0.385 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -89.17 -46.35 8.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.98 -106.79 0.2 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.91 43.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.439 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.7 mtt -143.25 163.62 32.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.11 41.58 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -123.12 157.39 33.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -166.08 143.77 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.07 -71.8 2.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -106.3 161.37 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.681 0.277 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -99.99 159.73 14.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.596 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 47.6 m-20 -134.06 116.74 15.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -43.52 -34.86 1.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.42 -60.03 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 9.1 p-90 -60.98 -33.51 73.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.514 HG13 ' CE2' ' A' ' 19' ' ' TRP . 87.1 mt -62.83 -48.8 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.9 tpt -34.85 -44.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 25' ' ' ILE . 8.3 t -55.15 -48.88 73.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' ILE . 24.5 mtp85 -38.0 -53.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.55 -32.78 74.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 22' ' ' SER . 3.8 mm -69.11 -43.11 81.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -44.73 -55.45 5.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -47.33 -51.87 18.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD22 ' CB ' ' A' ' 38' ' ' ALA . 10.0 mp -63.0 -59.21 5.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.1 p -46.3 -26.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -75.99 -34.51 59.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 28' ' ' LEU . 32.0 mtm -67.19 -66.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.39 38.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -133.79 143.54 48.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.7 Cg_endo -69.79 160.79 48.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.616 2.21 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -71.42 -29.63 65.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 7.6 mt-10 -42.16 -64.79 0.61 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.1 Cg_endo -69.77 -50.99 0.41 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.682 2.255 . . . . 0.0 112.306 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.466 ' CB ' HD22 ' A' ' 28' ' ' LEU . . . -42.97 -36.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -75.96 -58.05 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -52.95 -56.75 13.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -47.53 -66.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' ALA . 14.2 mt -35.53 -55.64 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -47.41 -42.28 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' ALA . 33.2 t -80.71 -27.34 36.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -88.55 28.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.5 m120 45.81 41.92 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 18.7 mmt 62.44 38.12 13.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -105.46 142.35 35.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 tp -87.31 -62.74 1.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -45.88 -42.87 13.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -66.1 -45.0 82.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.23 -59.54 4.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 70.4 mtp -42.85 -44.31 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 t -66.75 -44.91 80.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.18 -34.58 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.148 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.46 ' CD1' HD21 ' A' ' 28' ' ' LEU . 6.4 mt -81.08 -39.66 25.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.98 -35.38 76.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -40.67 -58.93 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -56.7 -60.64 3.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -116.29 102.89 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.7 t -77.61 99.08 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -95.85 165.3 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.75 86.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -56.64 108.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -95.38 116.94 29.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.1 ptt85 -75.92 137.62 40.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.38 59.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.59 118.51 1.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.66 164.53 27.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.4 t -136.87 133.12 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.924 0.392 . . . . 0.0 111.126 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.3 p -123.61 106.18 10.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -131.18 122.28 26.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -145.19 144.63 30.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -59.02 -56.61 20.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.03 111.13 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -142.6 162.19 36.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.311 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -117.21 -47.62 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -151.12 166.01 32.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -116.29 149.63 38.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.2 t 60.92 39.41 16.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.66 -178.39 39.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -11.83 31.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.628 2.219 . . . . 0.0 112.336 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.1 p -114.88 173.65 6.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -44.56 -43.55 8.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -157.89 148.07 20.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -167.81 122.79 1.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.16 119.33 0.81 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -146.41 167.96 22.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 t -111.04 157.08 20.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.66 109.77 0.26 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.83 140.44 15.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.526 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.12 102.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -172.73 147.39 1.76 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.7 m -126.05 -50.73 1.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -64.55 86.92 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.41 168.79 36.75 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -49.53 164.72 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.712 0.291 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -67.02 105.99 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.598 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 24.2 m-20 -137.63 118.88 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -45.31 -30.71 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.98 -59.69 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 11.9 p-90 -60.96 -31.56 71.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.509 HG13 ' CE2' ' A' ' 19' ' ' TRP . 29.6 mt -67.56 -40.07 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.1 tpt -40.25 -39.94 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' ILE . 57.9 m -63.03 -45.67 91.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.57 ' HD3' ' CH2' ' A' ' 19' ' ' TRP . 12.9 mtm180 -36.59 -60.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 ' HA ' ' NE2' ' A' ' 27' ' ' GLN . 22.5 mt -57.04 -32.03 65.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' SER . 2.7 mm -69.45 -48.42 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -43.23 -44.45 5.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' A' ' 24' ' ' LEU . 2.8 mp0 -56.52 -38.09 71.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.462 HD23 ' CB ' ' A' ' 38' ' ' ALA . 10.0 mp -80.29 -55.2 5.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.456 ' CG2' HG22 ' A' ' 25' ' ' ILE . 69.5 p -44.97 -34.69 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -80.6 -26.66 37.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 28' ' ' LEU . 17.4 mtp -69.77 -65.45 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.01 35.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.522 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -139.05 145.26 44.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.649 0.738 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.8 Cg_endo -69.75 157.01 61.86 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -68.62 -28.23 66.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -43.18 -64.84 0.65 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.641 0.734 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.8 Cg_endo -69.75 -50.99 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.462 ' CB ' HD23 ' A' ' 28' ' ' LEU . . . -40.15 -29.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.043 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -84.81 -49.29 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.1 -51.33 69.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -51.3 -69.27 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' ASN . 84.1 mt -36.28 -63.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' LEU . 18.9 mmtp -37.76 -41.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.3 t -82.66 -33.11 27.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' LEU . 44.6 m-80 -85.4 34.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 41.57 38.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.8 mmt 63.78 53.06 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.406 ' CB ' ' HB2' ' A' ' 51' ' ' GLN . 13.1 m120 -118.14 144.21 45.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -86.65 -56.26 3.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.77 -42.66 93.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.406 ' HB2' ' CB ' ' A' ' 48' ' ' ASN . 30.7 mt-30 -68.74 -41.5 78.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.453 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -64.77 -58.61 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 29.2 mtp -38.69 -62.34 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.6 t -46.24 -35.25 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -64.93 -33.49 76.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.085 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 37' ' ' PRO . 19.1 mt -84.09 -40.6 18.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' GLU . 8.9 mt -67.16 -55.35 14.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' CG ' ' N ' ' A' ' 59' ' ' LYS . 16.4 pt-20 -35.15 -49.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 58' ' ' GLU . 35.5 mtpt -35.51 -65.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -120.3 143.71 48.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.4 t -82.51 116.51 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.99 174.45 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.9 p -123.24 112.28 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -137.67 167.15 22.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -131.67 122.22 25.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 66' ' ' ARG . 6.0 ppt_? -74.57 174.03 9.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.88 46.63 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.7 tp -83.26 123.33 29.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.352 . . . . 0.0 110.947 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.86 -166.71 54.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 71' ' ' THR . 41.9 t -112.37 -57.16 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 70' ' ' VAL . 66.7 p 35.23 46.12 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -67.0 125.59 26.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -102.65 82.65 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -128.83 155.93 44.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.48 60.62 8.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.445 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.55 80.87 5.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -170.12 175.93 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -167.34 149.01 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 79' ' ' LYS . 6.0 tmtm? -129.2 126.24 38.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 p -108.92 127.6 54.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 166.27 82.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 102.55 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.281 . . . . 0.0 112.327 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.8 t -62.53 162.45 10.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.5 t -125.53 -41.58 2.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -81.84 -51.83 7.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 m -62.75 134.96 57.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.98 111.77 0.26 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -152.49 162.21 41.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -156.94 158.64 37.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.62 149.86 5.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 148.84 43.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.3 mmt -119.78 123.65 44.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.82 44.81 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' SER . 29.7 m -103.62 85.11 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' THR . 67.0 m -36.13 153.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.89 145.99 16.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -84.33 102.39 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.679 0.276 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -85.56 -35.86 20.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.578 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 5.8 m-20 -146.96 165.42 29.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -88.08 -30.68 19.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.5 -52.89 62.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 6.3 p-90 -57.76 -36.55 72.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.557 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 74.8 mt -60.64 -47.69 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.465 ' CE ' ' HE2' ' A' ' 47' ' ' MET . 14.0 tpp -37.45 -45.22 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.5 m -52.24 -47.6 65.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -41.68 -58.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 mt -56.95 -33.94 67.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.6 mm -67.21 -50.86 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -43.01 -58.59 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -42.65 -41.89 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.462 HD23 ' CB ' ' A' ' 38' ' ' ALA . 9.2 mp -75.41 -57.33 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.1 p -40.72 -37.1 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.42 -42.08 83.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.453 ' CE ' ' HE3' ' A' ' 53' ' ' MET . 4.8 mmt -56.33 -59.33 5.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.04 33.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -128.42 144.1 50.69 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.2 Cg_endo -69.74 155.57 65.64 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -68.98 -25.44 64.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.533 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 1.8 mm-40 -45.67 -64.95 0.74 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.618 0.723 . . . . 0.0 110.899 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.533 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.462 ' CB ' HD23 ' A' ' 28' ' ' LEU . . . -41.04 -28.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -82.29 -62.02 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -50.31 -54.11 23.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.22 -63.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.4 mt -42.55 -47.05 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 1.8 mmmp? -55.11 -34.9 64.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.4 m -94.36 -16.38 23.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -99.93 27.48 5.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 43.37 47.36 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.5 ' N ' ' SD ' ' A' ' 47' ' ' MET . 0.0 OUTLIER 51.24 53.98 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -118.79 123.26 44.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.443 ' CD1' ' CD1' ' A' ' 28' ' ' LEU . 9.9 tp -67.03 -66.83 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -43.34 -46.93 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.98 -49.12 73.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.4 -59.49 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.453 ' HE3' ' CE ' ' A' ' 31' ' ' MET . 31.7 mtp -42.29 -61.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.5 t -57.63 -27.27 62.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.63 -23.94 59.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.402 ' CD2' ' HB2' ' A' ' 37' ' ' PRO . 39.8 mt -92.29 -50.42 5.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 59' ' ' LYS . 5.4 mp -57.61 -47.48 82.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' LEU . 9.0 pt-20 -34.58 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.8 mmmm -91.45 -53.46 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -113.75 109.4 18.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.0 p -107.31 120.7 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.5 p-10 -145.8 157.47 43.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.4 t -77.89 94.78 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.2 174.33 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -39.42 156.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -57.86 162.91 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.45 166.47 25.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.2 tp -95.37 137.94 33.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -130.88 148.09 18.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.7 p -39.92 135.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.383 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.5 t -117.06 40.15 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -43.84 -46.19 7.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -45.2 -61.27 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -100.18 115.68 30.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.52 43.78 0.12 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.505 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -120.33 172.96 7.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -121.35 112.75 18.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.32 162.06 13.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -83.88 102.43 12.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.2 m -148.98 162.6 39.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.69 82.69 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 165.96 29.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.5 m -154.58 112.93 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.4 p -104.15 141.19 36.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.516 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 t -146.14 129.51 16.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.364 . . . . 0.0 110.872 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -140.82 111.0 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.86 141.47 6.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -116.39 -52.92 2.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.886 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -118.87 136.78 53.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.57 173.82 20.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.7 -147.91 19.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.7 mtt 55.35 42.37 30.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 tptm -85.58 115.71 23.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.4 t -119.94 41.85 3.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 m -44.24 -43.88 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.7 -127.99 1.42 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -52.43 113.59 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -116.54 91.99 3.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.546 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 33.1 m-20 -99.7 170.47 8.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -92.09 -38.57 12.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.29 -49.8 17.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.076 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.562 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.8 p-90 -63.23 -34.13 76.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.562 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 77.3 mt -65.65 -44.96 93.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.415 ' CE ' ' HB2' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -38.9 -40.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 25' ' ' ILE . 30.5 t -58.74 -48.25 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -39.92 -55.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 mt -55.56 -34.97 65.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.431 HG21 ' CG2' ' A' ' 29' ' ' THR . 3.2 mm -64.92 -43.9 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -50.66 -26.0 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -74.73 -37.52 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.463 HD21 ' CB ' ' A' ' 38' ' ' ALA . 10.8 mp -80.68 -45.41 17.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.431 ' CG2' HG21 ' A' ' 25' ' ' ILE . 60.4 p -51.46 -28.9 14.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.22 -37.12 61.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -72.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.69 32.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -130.43 145.56 57.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HG2' ' CG ' ' A' ' 37' ' ' PRO . 54.1 Cg_endo -69.75 174.16 9.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.7 -28.06 26.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.537 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 5.6 mt-10 -44.24 -64.69 0.75 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.688 0.756 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.75 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.463 ' CB ' HD21 ' A' ' 28' ' ' LEU . . . -45.98 -23.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -88.4 -52.95 4.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 6.1 pt-20 -57.75 -45.88 85.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.45 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -56.85 -58.81 6.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.415 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 33.3 mt -41.14 -54.51 2.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -46.53 -42.81 16.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 m -81.47 -26.15 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -90.68 30.26 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 43.99 40.21 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.7 mmt 63.3 37.76 10.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -102.29 144.53 30.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -85.56 -67.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.46 -47.24 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -63.87 -38.07 89.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.6 -60.8 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 44.2 mtp -44.29 -62.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 t -47.36 -48.04 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.84 -30.54 23.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.421 ' CD1' HD23 ' A' ' 28' ' ' LEU . 3.0 mt -91.44 -61.48 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mt -47.59 -29.27 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' LYS . 2.5 pp20? -50.56 -36.32 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -39.91 -25.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 58' ' ' GLU . 20.7 tttt -142.0 150.03 40.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.0 p -73.44 101.13 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -133.52 -175.08 3.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.16 112.42 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -58.78 130.79 48.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' ARG . 16.0 mmtp -63.67 128.59 36.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -34.59 -50.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.33 152.79 5.73 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.62 170.27 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.361 . . . . 0.0 110.931 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.59 179.06 27.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.1 t -48.35 123.22 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 49.9 m -47.21 140.61 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 41.64 43.7 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -64.68 -56.79 11.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -69.4 -52.72 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 145.11 -47.55 0.75 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.2 ttm 56.22 42.53 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 64.16 45.19 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.11 -45.87 15.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' A' ' 79' ' ' LYS . 4.0 tmtm? -107.78 -44.77 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.9 t -58.12 -48.93 78.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.22 -158.15 35.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 129.72 18.09 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.8 p -165.04 164.21 20.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.9 p 43.15 42.0 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -106.83 95.51 5.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 t -78.13 -48.45 15.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.5 49.76 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p -61.54 146.48 48.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -69.59 130.98 43.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.21 -48.42 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.541 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.24 94.1 0.26 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.485 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.1 ptp -72.05 -47.26 52.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -56.34 118.67 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.8 t -84.66 139.88 31.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.214 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.0 p -115.27 91.58 3.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.98 -176.73 39.78 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 9.2 ptpt -127.21 157.03 40.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.752 0.31 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 14' ' ' LYS . 1.2 mp0 -125.54 -33.41 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.588 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 23.7 m-20 -145.44 172.03 13.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.31 -32.95 13.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.15 -52.31 45.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 7.0 p-90 -54.84 -35.54 64.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.559 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 86.7 mt -62.92 -48.41 88.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -35.63 -43.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.8 m -56.52 -47.92 78.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' ILE . 29.3 mtp180 -39.79 -57.74 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.0 mt -57.37 -42.1 81.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.6 mm -54.26 -50.98 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 27' ' ' GLN . 42.5 tptt -41.21 -61.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' LYS . 15.2 mm100 -38.01 -38.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 38' ' ' ALA . 11.0 mp -79.8 -52.46 7.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.6 p -44.62 -29.54 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -80.26 -32.25 38.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' LEU . 17.4 mtt -65.23 -66.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.71 37.55 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -140.61 142.91 30.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.73 166.18 28.44 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -75.1 -32.38 61.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.543 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.2 mt-10 -40.13 -65.1 0.47 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.694 0.759 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.71 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.468 ' CB ' HD21 ' A' ' 28' ' ' LEU . . . -45.25 -22.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -90.3 -55.04 3.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 6.1 pt-20 -54.98 -43.5 73.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -62.13 -60.87 2.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 41' ' ' ALA . 26.6 mt -36.04 -54.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -47.0 -43.25 19.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ALA . 48.7 m -83.89 -17.8 39.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -94.91 32.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 41.4 34.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 11.3 mmt 62.52 51.88 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -118.96 148.68 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 tp -87.99 -59.84 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -53.48 -42.42 67.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -66.91 -49.34 65.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.41 -56.12 26.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 20.2 mtp -45.93 -61.39 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.8 t -50.85 -40.9 57.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.26 -34.21 70.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 mt -84.01 -40.47 18.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.3 -45.24 94.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -47.81 -59.28 3.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -53.96 -59.29 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -67.83 171.45 6.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.9 p -102.56 127.89 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -111.75 169.84 8.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.3 t -125.66 -44.31 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.12 137.91 38.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -57.41 146.07 30.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.4 ttt85 -159.22 152.11 21.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 178.42 -176.37 47.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.402 ' N ' HD22 ' A' ' 68' ' ' LEU . 4.4 mm? -65.02 -53.72 41.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.08 -116.12 0.62 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.3 p -91.84 145.56 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.944 0.402 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.7 t -52.98 141.38 22.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -42.68 104.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -56.56 163.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -167.21 131.26 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.14 143.86 8.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.8 ptm -133.48 161.92 33.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -174.77 136.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -173.61 154.27 2.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -114.7 -46.51 2.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 t -63.4 -51.09 67.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 50.41 -179.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 132.23 22.8 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.644 2.23 . . . . 0.0 112.347 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.7 t -67.46 -44.67 78.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.5 t -127.21 123.94 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 t -93.27 114.17 26.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.923 0.392 . . . . 0.0 110.818 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 m -147.86 122.62 9.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.27 73.88 1.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -91.45 -61.44 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -49.71 -61.49 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.63 -98.01 2.39 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.71 140.92 3.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.507 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.0 mtm -96.67 170.43 9.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.357 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.69 139.65 19.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.1 m -146.6 147.55 31.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -92.61 147.3 22.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.436 ' O ' ' CE2' ' A' ' 19' ' ' TRP . . . 123.68 178.05 15.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -94.77 51.34 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.729 0.299 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.512 ' OE1' ' CD1' ' A' ' 19' ' ' TRP . 0.3 OUTLIER -78.5 -34.12 47.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.562 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 7.1 t70 -138.12 170.78 15.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -94.17 -36.26 12.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.53 -52.3 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.566 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.6 p-90 -56.15 -35.96 67.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.566 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 85.6 mt -62.2 -49.36 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -34.41 -44.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' ARG . 24.1 t -54.41 -49.72 69.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ILE . 22.4 mtp85 -37.58 -58.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.1 mt -57.02 -38.31 72.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.434 HG23 ' CG2' ' A' ' 29' ' ' THR . 11.1 mm -61.47 -52.97 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ILE . 43.9 tptt -36.54 -62.46 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -38.36 -43.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' MET . 10.0 mp -74.52 -58.59 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.434 ' CG2' HG23 ' A' ' 25' ' ' ILE . 58.3 p -39.33 -36.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.95 -40.49 78.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 28' ' ' LEU . 9.7 mtt -57.48 -64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.76 36.1 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -132.39 142.72 45.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.684 0.754 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.74 157.27 61.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -68.22 -29.38 68.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -42.15 -64.7 0.63 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.925 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.8 Cg_endo -69.83 -50.96 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.298 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.91 -40.57 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -72.3 -48.42 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -59.91 -59.28 5.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -46.33 -64.66 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 45' ' ' ASN . 16.1 mt -35.53 -64.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.407 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 32.4 mttp -38.87 -39.55 0.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 41' ' ' ALA . 16.2 m -83.16 -31.75 26.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' LEU . 59.9 m-80 -86.49 34.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 41.52 36.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.431 ' SD ' ' CE ' ' A' ' 21' ' ' MET . 12.1 mmt 65.56 46.72 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -110.71 152.66 26.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.2 tp -91.93 -61.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -54.77 -42.48 71.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -64.13 -47.57 79.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.457 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -63.79 -60.62 3.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 55.7 mtp -38.38 -64.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -48.81 -35.57 14.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.63 -34.71 78.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.5 mt -83.92 -38.64 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' GLU . 6.8 mt -70.1 -53.71 16.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.451 ' OE2' ' CG ' ' A' ' 59' ' ' LYS . 2.0 pp20? -34.84 -44.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' CG ' ' OE2' ' A' ' 58' ' ' GLU . 22.3 mtmm -45.09 -59.79 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -102.02 153.5 19.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.1 t -93.7 113.85 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -154.28 150.69 28.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.2 t -109.62 91.98 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -120.42 157.2 29.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -50.39 172.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 66' ' ' ARG . 9.6 mpt_? -90.74 75.35 6.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.3 179.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.55 ' CD2' ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -73.99 159.37 32.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.934 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.462 ' N ' ' CD2' ' A' ' 68' ' ' LEU . . . 77.28 140.1 1.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.451 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m -70.34 170.82 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 72' ' ' ASP . 6.6 t -130.35 -31.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' N ' HG22 ' A' ' 71' ' ' THR . 3.0 t70 -93.99 125.85 38.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -93.17 104.04 16.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -143.66 118.56 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.88 46.67 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.9 mmm -51.73 132.0 30.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.45 160.45 31.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.33 160.21 43.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -165.25 142.11 5.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.5 t -135.9 169.38 17.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -149.83 83.43 0.17 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -176.36 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.374 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.6 t -154.15 142.3 20.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.5 p -84.87 -46.62 11.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 p -43.42 -47.16 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -120.11 -56.4 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.29 110.06 2.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 m -54.71 170.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -119.05 -57.33 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.0 -97.57 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.68 45.21 0.99 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.479 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 tpt -96.66 119.9 36.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 10' ' ' LYS . 3.0 pptp? -91.34 160.61 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.7 p -123.39 146.1 48.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.8 m -55.87 162.69 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.54 -112.17 4.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.536 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 15' ' ' GLN . 0.7 OUTLIER -42.17 142.0 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.746 0.308 . . . . 0.0 110.908 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.463 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 17.3 mt-30 -85.26 99.6 11.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.546 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 32.1 m-20 -89.27 174.22 7.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -92.21 -34.07 14.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.64 -52.81 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.546 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 7.8 p-90 -55.93 -34.07 65.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.531 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 86.5 mt -65.1 -47.5 87.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.476 ' SD ' ' CE ' ' A' ' 47' ' ' MET . 1.4 tpt -35.59 -42.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' ILE . 22.5 t -57.59 -49.71 75.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' ILE . 31.0 mtp180 -37.17 -54.35 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.58 -39.54 91.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' SER . 9.5 mm -57.22 -48.05 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -42.11 -63.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -38.26 -46.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.462 HD21 ' CB ' ' A' ' 38' ' ' ALA . 9.9 mp -69.18 -56.22 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.5 p -51.01 -18.1 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.8 -29.14 24.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 13.8 mtt -72.55 -56.27 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.79 38.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -134.18 143.5 47.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.671 0.748 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 54.1 Cg_endo -69.73 156.67 62.8 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.753 2.302 . . . . 0.0 112.324 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -69.32 -26.66 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.6 mm-40 -44.6 -65.17 0.66 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.657 0.741 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 54.0 Cg_endo -69.74 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.462 ' CB ' HD21 ' A' ' 28' ' ' LEU . . . -41.99 -39.07 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -73.45 -49.63 25.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.07 -58.76 7.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -43.99 -65.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' ALA . 19.3 mt -35.3 -59.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -43.67 -41.13 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' ALA . 20.3 m -81.29 -27.95 34.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -90.42 30.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 45.52 38.39 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.476 ' CE ' ' SD ' ' A' ' 21' ' ' MET . 11.4 mmt 64.23 40.37 6.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -104.95 142.01 35.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.9 tp -82.96 -66.32 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.4 -45.56 17.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -65.44 -47.23 76.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.14 -58.73 7.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.8 mtp -43.53 -59.68 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 t -52.29 -47.21 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.55 -31.59 36.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.1 mt -86.16 -57.33 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.3 mt -46.66 -43.36 17.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.81 -59.2 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -51.9 -50.3 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -102.89 105.59 15.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.8 p -75.07 117.17 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -139.36 164.64 29.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.6 t -87.72 103.46 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -164.37 148.18 9.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.6 113.73 25.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -58.36 142.36 48.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.84 107.68 1.8 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.4 tp -71.35 97.31 1.57 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.04 56.14 2.24 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 m -79.27 114.01 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 111.152 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.3 p -147.07 173.43 12.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.43 139.92 40.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -156.66 159.38 38.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' HIS . 2.9 p-10 38.18 40.2 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.78 142.49 14.69 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.9 tmm? -84.99 115.81 23.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.74 0.305 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.74 107.86 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.84 119.58 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HE2' ' C ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -40.92 97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.2 p -151.08 127.4 10.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 174.17 83.36 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 171.52 14.26 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.746 2.297 . . . . 0.0 112.302 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -146.84 119.52 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.5 p -89.7 171.03 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 t -67.17 99.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -92.84 126.69 38.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.36 -113.67 5.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -139.31 142.75 37.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -71.05 -53.82 13.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.69 155.07 8.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.62 -140.44 16.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 33.9 ttm 67.55 41.9 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -83.17 99.8 10.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.6 m -47.49 144.57 2.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.0 p -106.99 -53.01 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.74 -172.58 36.33 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -152.22 142.64 22.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.717 0.294 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -131.9 -33.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.593 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 5.8 m-20 -151.94 172.28 16.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -93.72 -32.64 13.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.34 -47.41 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.593 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 6.2 p-90 -62.27 -35.86 80.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.564 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 90.4 mt -62.39 -41.02 90.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.46 ' CE ' ' HG2' ' A' ' 43' ' ' LYS . 0.7 OUTLIER -42.54 -39.6 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' ILE . 3.4 p -58.09 -51.54 69.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' SER . 18.7 mtp85 -37.53 -52.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.02 -40.33 97.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' SER . 4.6 mm -59.71 -50.47 79.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -42.88 -58.99 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -41.22 -38.03 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.465 HD22 ' CB ' ' A' ' 38' ' ' ALA . 10.7 mp -79.97 -52.99 7.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.9 p -43.16 -37.58 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -71.51 -34.78 70.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' LEU . 19.8 mtt -62.35 -65.39 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.451 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 161.02 41.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 8.9 m-85 -141.81 143.7 29.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.675 0.75 . . . . 0.0 110.844 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.8 Cg_endo -69.81 159.06 54.76 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -70.27 -28.55 65.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.529 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 3.4 mm-40 -42.87 -64.47 0.72 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.699 0.762 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.77 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.496 ' O ' ' CD1' ' A' ' 42' ' ' LEU . . . -47.67 -20.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -87.74 -56.56 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 4.6 pt-20 -59.73 -47.59 85.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.489 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -50.63 -64.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 38' ' ' ALA . 21.3 mt -43.19 -65.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.46 ' HG2' ' CE ' ' A' ' 21' ' ' MET . 2.4 mmmp? -42.04 -25.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' LEU . 1.3 t -95.14 -29.82 14.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 42' ' ' LEU . 49.6 m-80 -92.05 25.75 2.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 m120 57.54 40.96 26.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.419 ' N ' ' SD ' ' A' ' 47' ' ' MET . 8.7 mmm 60.11 44.4 13.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.433 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 3.0 m-20 -107.13 148.74 28.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.2 tp -92.86 -59.45 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -55.51 -44.09 76.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -64.71 -47.96 76.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' MET . . . -61.92 -59.52 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 52' ' ' ALA . 42.9 mtp -35.07 -59.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.9 t -50.76 -52.85 36.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.49 -16.79 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.402 ' CD1' HD21 ' A' ' 28' ' ' LEU . 21.6 mt -92.43 -47.21 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 58' ' ' GLU . 5.3 mp -66.1 -38.59 88.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' LEU . 8.9 mt-10 -37.88 -46.56 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -40.03 -59.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -140.03 149.4 43.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.7 t -93.12 101.71 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.27 169.62 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.3 p -104.77 108.78 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.13 134.17 52.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -44.74 146.65 0.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -141.04 150.51 43.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.77 73.23 0.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.29 -61.81 2.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.75 136.09 6.37 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.4 m -85.44 123.32 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 111.107 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.7 m -76.95 124.52 27.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -145.01 167.84 21.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -114.15 155.07 26.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -131.97 -55.72 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.59 93.82 1.83 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -165.79 148.25 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.48 -56.18 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 41.85 38.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -72.53 80.05 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.6 t -116.77 142.48 46.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 163.64 75.71 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.531 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 119.63 6.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.0 p -110.44 96.75 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 m -110.58 157.85 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -106.75 127.96 53.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.858 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -151.84 156.19 39.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.57 -115.93 0.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.431 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -132.25 168.49 17.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 m -95.44 127.2 41.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.59 116.7 0.55 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 168.82 58.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.1 ttp -78.37 112.21 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -84.93 143.15 29.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.4 t -98.44 134.53 41.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.191 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.2 t -76.75 137.65 39.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.01 -41.33 14.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -140.65 143.46 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -89.57 100.79 13.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.546 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 5.7 m-20 -129.95 116.73 19.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.72 -32.18 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.22 -59.88 3.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.546 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 8.2 p-90 -61.28 -33.99 74.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.49 HG13 ' CE2' ' A' ' 19' ' ' TRP . 67.3 mt -63.5 -45.89 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.467 ' CE ' ' HE1' ' A' ' 47' ' ' MET . 18.9 tpp -37.08 -43.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' ARG . 4.4 m -56.84 -49.9 74.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' SER . 36.3 mtp180 -36.72 -59.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.8 mt -58.73 -38.8 79.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.418 HG22 ' CG2' ' A' ' 29' ' ' THR . 5.0 mm -60.5 -52.27 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -41.03 -60.8 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -40.47 -40.96 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD22 ' CB ' ' A' ' 38' ' ' ALA . 10.0 mp -76.76 -51.97 10.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.418 ' CG2' HG22 ' A' ' 25' ' ' ILE . 58.9 p -47.93 -24.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -84.66 -31.23 24.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 62.1 mtm -66.75 -64.92 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.66 39.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -137.84 144.02 42.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.711 0.767 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 54.5 Cg_endo -69.74 157.34 60.76 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.0 ptt-85 -70.07 -26.47 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.4 mt-10 -44.79 -65.11 0.67 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.683 0.754 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.4 Cg_endo -69.8 -50.83 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.458 ' CB ' HD22 ' A' ' 28' ' ' LEU . . . -42.91 -25.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -85.13 -61.08 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 7.3 pt-20 -51.09 -46.69 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -53.6 -68.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 45' ' ' ASN . 94.0 mt -39.07 -56.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.8 mmmm -42.24 -38.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -94.04 -19.89 20.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' LEU . 71.2 m-80 -96.55 24.88 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.0 m120 44.14 49.71 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.493 ' N ' ' SD ' ' A' ' 47' ' ' MET . 0.0 OUTLIER 48.57 54.54 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.416 ' CB ' ' HB2' ' A' ' 51' ' ' GLN . 37.3 m-20 -115.07 130.53 56.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 tp -77.43 -56.27 4.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -55.6 -41.4 73.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.416 ' HB2' ' CB ' ' A' ' 48' ' ' ASN . 39.2 mm-40 -73.43 -47.3 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 48' ' ' ASN . . . -56.22 -52.22 65.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.6 mtp -47.77 -59.71 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 t -51.24 -43.44 61.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.48 -31.4 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 mt -88.26 -42.29 12.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.65 -31.07 70.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.73 -29.75 4.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 60' ' ' LYS . 19.5 mmtm -84.66 34.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 36.59 39.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -72.02 116.38 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -55.83 156.24 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -144.51 120.61 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -49.02 176.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -78.09 -37.13 47.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -80.34 134.95 36.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -101.45 -135.89 9.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 pp -106.85 146.52 30.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.851 0.358 . . . . 0.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.77 179.36 23.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -98.47 103.9 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.961 0.41 . . . . 0.0 111.12 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.4 m -147.99 154.87 40.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.31 125.76 35.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -60.16 -59.1 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -78.53 81.53 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.66 55.13 3.76 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 28.5 mtt -151.18 105.35 3.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.53 82.25 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.97 113.61 19.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.072 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.41 169.53 10.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 p -158.24 120.56 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 52.0 67.9 1.81 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 0.74 5.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.8 t 66.79 37.63 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.2 m -110.33 114.22 27.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 m -154.73 126.55 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 m -108.82 165.15 11.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.51 128.47 2.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 p -166.58 172.63 10.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.825 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -142.49 158.23 43.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.12 139.84 3.81 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.2 -158.89 16.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.8 ttt -82.39 43.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -48.47 -60.28 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.5 m -126.72 124.83 40.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.6 p -86.09 151.61 23.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.16 -71.32 0.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -65.9 84.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.715 0.293 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -40.79 149.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.441 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 52.5 m-20 -131.33 173.51 10.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -91.3 -33.19 15.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.08 -53.43 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.511 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 7.5 p-90 -59.57 -34.43 72.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.511 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 74.4 mt -63.72 -48.27 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.132 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.463 ' CE ' ' HE1' ' A' ' 47' ' ' MET . 9.0 tpp -34.74 -44.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' ILE . 3.7 m -54.89 -50.89 67.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ILE . 17.8 mtp85 -38.2 -56.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.7 mt -58.24 -37.46 74.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 22' ' ' SER . 4.2 mm -64.95 -50.97 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.8 tttt -43.18 -51.67 5.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -48.74 -35.17 13.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 38' ' ' ALA . 10.1 mp -83.52 -50.5 8.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.3 p -48.0 -24.49 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -84.12 -34.0 24.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 15.0 mtt -63.95 -64.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 161.53 40.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 10.8 m-85 -140.66 143.82 33.82 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.468 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 54.0 Cg_endo -69.74 156.86 62.32 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.679 2.253 . . . . 0.0 112.398 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -68.99 -27.67 65.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.543 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 1.9 mm-40 -43.75 -65.34 0.6 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.645 0.736 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.75 -50.94 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.466 ' CB ' HD21 ' A' ' 28' ' ' LEU . . . -41.7 -25.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.066 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' PRO . 12.2 tt0 -84.23 -62.48 1.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 5.8 pt-20 -50.26 -43.86 53.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -57.23 -68.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' ALA . 72.3 mt -34.87 -49.91 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 19.0 mmtp -46.37 -46.39 18.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ALA . 23.3 t -87.03 -20.29 27.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.456 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 46.9 m-80 -91.82 16.03 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 63.1 t30 53.43 47.35 24.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.479 ' N ' ' SD ' ' A' ' 47' ' ' MET . 0.0 OUTLIER 48.43 50.31 16.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.25 148.43 42.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.428 ' CD1' ' CD1' ' A' ' 28' ' ' LEU . 7.9 tp -86.75 -47.28 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.7 -37.62 84.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.421 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 17.7 mm100 -79.9 -40.07 29.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -65.55 -51.39 60.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.407 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 48.8 mtp -49.82 -62.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 t -52.31 -36.43 53.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.91 -28.36 69.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 37' ' ' PRO . 60.4 mt -92.31 -51.23 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' GLU . 5.4 mp -56.49 -46.69 80.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 pp20? -34.83 -39.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -42.51 -49.32 5.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -110.04 176.33 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.0 p -75.28 117.47 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -49.42 133.26 20.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 64' ' ' ASP . 10.1 p -129.27 121.4 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 63' ' ' VAL . 1.0 OUTLIER -35.7 117.43 0.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.6 177.32 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -86.39 86.1 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -47.99 146.51 4.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 mp -49.36 101.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.57 118.38 4.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.517 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.5 t -79.21 -49.67 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 111.106 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.1 p -144.66 145.84 31.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -98.28 -48.88 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -148.71 116.63 6.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -94.6 92.9 7.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.27 61.04 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.0 tpt -119.14 98.43 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.736 0.303 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -172.47 134.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.05 154.6 47.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -148.69 155.81 41.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 m -164.41 117.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -176.14 146.31 8.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.543 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 175.39 8.19 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.6 m -91.69 170.08 10.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.1 m -129.8 170.28 14.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -141.47 145.48 35.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.4 p -171.06 127.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.18 84.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -111.66 109.24 19.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 p -145.43 169.31 18.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.53 -99.4 0.72 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.56 131.0 6.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -60.12 125.25 22.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -63.18 108.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 t -47.73 -31.65 4.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t -106.91 154.93 20.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.65 134.46 2.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -66.74 146.51 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.677 0.275 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -70.11 117.21 11.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.423 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 14.8 t70 -101.12 171.37 7.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -91.47 -34.64 14.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.53 -53.12 32.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.549 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 8.5 p-90 -61.32 -35.25 76.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.549 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 91.2 mt -63.28 -47.59 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -35.6 -43.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.84 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.7 m -56.99 -49.72 74.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.794 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' ILE . 13.1 mtp180 -39.61 -57.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.7 mt -57.67 -39.17 76.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.431 HG22 ' CG2' ' A' ' 29' ' ' THR . 3.5 mm -61.27 -56.58 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -35.51 -59.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -41.34 -43.67 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.437 HD22 ' CB ' ' A' ' 38' ' ' ALA . 8.5 mp -74.29 -51.84 14.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.431 ' CG2' HG22 ' A' ' 25' ' ' ILE . 39.6 p -51.58 -21.94 2.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -84.91 -25.44 27.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.0 mtm -73.71 -69.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.13 30.16 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -131.59 145.99 59.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CG ' ' A' ' 37' ' ' PRO . 53.4 Cg_endo -69.77 178.53 4.48 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.306 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -25.78 21.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.542 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 5.8 mt-10 -46.73 -64.97 0.78 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.83 -50.87 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.344 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.437 ' CB ' HD22 ' A' ' 28' ' ' LEU . . . -46.84 -24.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -87.6 -56.97 3.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -53.24 -40.49 64.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -60.36 -71.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 41' ' ' ALA . 58.0 mt -34.71 -49.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -43.76 -47.72 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' ALA . 6.1 t -89.42 -21.18 23.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -90.39 27.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.9 m120 42.33 45.73 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.499 ' N ' ' SD ' ' A' ' 47' ' ' MET . 0.0 OUTLIER 50.66 53.56 12.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -112.83 132.81 55.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.3 tp -76.2 -62.21 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -50.04 -45.04 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -64.79 -51.51 61.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.8 -57.01 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.3 mtp -44.47 -53.99 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.8 t -58.95 -35.7 73.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.3 -36.3 83.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 37' ' ' PRO . 8.2 mt -82.11 -39.21 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mt -64.73 -47.83 76.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -39.65 -53.83 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -38.58 -48.2 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -110.44 109.37 19.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.9 t -81.74 115.27 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -120.82 177.37 5.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.8 t -100.06 -59.53 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.38 167.61 12.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -160.82 163.86 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -116.48 -53.67 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.97 151.55 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.0 mt -47.6 170.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.937 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.25 62.87 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.524 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.8 p -139.56 143.94 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 111.187 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.4 m -84.21 122.32 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -145.68 137.32 25.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -135.19 122.33 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -148.68 176.71 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -123.72 124.87 5.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.2 tpt -86.39 -56.22 3.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.736 0.303 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.28 42.57 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.46 97.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -144.91 171.21 14.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.2 m -117.18 166.29 12.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -111.25 83.18 0.32 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -174.8 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.682 2.254 . . . . 0.0 112.326 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -151.57 145.61 25.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.9 p -125.64 174.42 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 p -104.57 159.88 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.824 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -62.01 -58.27 8.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.85 -93.45 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.7 p -174.44 140.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 110.897 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -145.15 158.42 43.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.82 72.66 2.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.37 97.67 1.08 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.8 ttt -172.36 151.7 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? 60.63 41.74 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' SER . 69.6 p -102.32 85.82 2.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' THR . 75.2 m -38.04 154.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.93 -64.59 2.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -70.94 172.97 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.712 0.291 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -96.53 87.76 4.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.588 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 20.0 m-20 -91.22 169.01 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -93.8 -24.77 17.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.47 -44.57 96.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 6.8 p-90 -63.32 -34.78 78.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.56 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 85.1 mt -64.26 -46.51 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.459 ' HE1' ' CG ' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -38.48 -40.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -59.0 -44.35 91.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' ILE . 29.6 mtp180 -44.72 -49.03 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.8 mt -65.02 -30.05 71.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.5 mm -67.06 -47.85 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -41.3 -61.31 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -41.17 -52.08 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.471 HD23 ' CB ' ' A' ' 38' ' ' ALA . 9.9 mp -62.98 -50.41 70.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.0 p -56.42 -20.64 20.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.08 -15.15 34.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 71.1 mtp -85.5 -64.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 165.59 39.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.534 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 14.4 m-85 -141.19 143.03 29.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.627 0.727 . . . . 0.0 110.94 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.3 Cg_endo -69.77 163.15 39.36 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.4 ptt-85 -71.95 -32.75 67.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.55 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.1 mt-10 -39.79 -65.53 0.42 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.7 Cg_endo -69.8 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.329 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.471 ' CB ' HD23 ' A' ' 28' ' ' LEU . . . -40.41 -40.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -78.52 -56.08 4.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.62 -59.03 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -51.92 -63.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' ALA . 18.2 mt -35.02 -60.07 0.47 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.459 ' CG ' ' HE1' ' A' ' 21' ' ' MET . 21.2 mtpt -43.8 -48.06 8.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.9 m -77.82 -20.89 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 68.4 m-80 -94.35 30.97 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 m120 42.2 36.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.411 ' CE ' ' CE ' ' A' ' 21' ' ' MET . 11.3 mmt 65.54 43.48 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -106.43 137.08 45.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -82.67 -63.86 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -48.55 -45.6 37.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -66.23 -42.76 88.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.415 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -62.65 -59.57 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 58.3 mtp -43.12 -59.72 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.8 t -53.84 -38.37 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.76 -23.41 67.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.6 mt -91.75 -53.39 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 58' ' ' GLU . 7.8 mt -55.73 -53.33 57.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.5 pp20? -34.86 -37.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' CB ' ' HE3' ' A' ' 60' ' ' LYS . 1.0 OUTLIER -54.83 -50.39 68.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' HE3' ' CB ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -90.96 130.43 36.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.877 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.2 p -102.27 115.95 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -133.95 173.48 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.1 t -85.41 -47.79 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -93.12 142.08 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -95.9 149.95 20.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -96.0 170.14 9.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.07 167.35 31.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.0 mt -60.57 155.67 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.2 87.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.1 t -82.42 146.96 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.382 . . . . 0.0 111.117 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.6 t -163.12 163.3 25.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -122.05 -58.3 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -149.72 120.96 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -74.97 85.83 2.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.79 -158.27 37.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.444 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.7 ttt -136.85 139.0 41.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.82 86.91 4.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -44.3 -46.07 9.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 tptm 54.59 41.7 31.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 t -99.77 92.61 5.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.21 82.12 0.35 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 142.4 47.7 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.346 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.1 m -134.13 170.11 16.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.9 m -58.88 -46.33 88.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.6 p -144.05 133.91 23.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 m -97.54 175.25 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.61 158.24 27.91 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -153.32 159.66 42.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -139.26 174.99 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.96 -177.37 40.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.77 157.13 33.79 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -165.08 161.76 19.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -147.48 174.86 11.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -125.03 141.65 51.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 m -106.28 42.0 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.48 127.38 0.72 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.529 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -143.4 178.68 7.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.54 178.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.529 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 63.0 m-20 -91.64 166.89 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -94.03 -25.36 17.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.2 -55.15 38.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.553 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 5.9 p-90 -49.81 -36.84 27.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.553 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 97.4 mt -60.31 -45.34 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.4 tpp -38.86 -42.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 23' ' ' ARG . 3.7 p -54.61 -51.76 64.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' SER . 35.1 mtp180 -36.32 -57.68 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.62 -40.52 79.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' SER . 13.1 mm -56.19 -54.79 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -36.24 -61.58 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.874 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -41.99 -54.34 3.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.443 ' HA ' ' CE ' ' A' ' 31' ' ' MET . 9.9 mp -61.0 -54.67 42.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.3 p -51.81 -27.97 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.3 -25.9 46.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 28' ' ' LEU . 39.1 mtm -74.68 -59.88 2.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.27 39.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -138.06 143.57 40.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.677 0.751 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.466 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.76 160.04 51.19 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.667 2.245 . . . . 0.0 112.387 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 ptt85 -71.07 -29.29 65.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.544 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 5.5 mm-40 -42.45 -65.41 0.54 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.636 0.731 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.8 Cg_endo -69.73 -50.98 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.429 ' CB ' HD21 ' A' ' 28' ' ' LEU . . . -41.47 -35.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.078 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -76.89 -56.92 4.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -54.81 -56.01 24.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -47.23 -68.05 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' ASN . 8.8 mt -35.03 -65.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -41.07 -38.62 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 41' ' ' ALA . 29.8 m -81.13 -31.97 33.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.808 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' LEU . 60.8 m-80 -85.32 26.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 49.44 46.04 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 2.4 mmt 57.13 46.31 19.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -112.8 139.04 48.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.3 tp -86.85 -61.32 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -50.43 -44.13 55.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -62.6 -47.64 82.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' MET . . . -61.58 -60.7 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' ALA . 67.3 mtp -35.58 -47.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.9 p -67.69 -45.11 76.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -57.44 -34.46 68.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.442 ' CD1' HD23 ' A' ' 28' ' ' LEU . 4.8 mt -83.23 -46.07 13.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' GLU . 10.7 mt -58.15 -46.28 85.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' LEU . 3.1 mm-40 -38.45 -60.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -40.27 -52.19 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -102.81 102.26 12.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.952 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.9 t -85.2 107.71 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.18 130.91 43.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 p -41.66 -35.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -120.5 128.48 53.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -75.17 103.66 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -121.11 98.43 5.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -139.82 -120.13 1.72 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.5 tp -151.15 147.92 27.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.32 114.96 3.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.1 p -38.38 129.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.91 0.386 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 80.5 p -92.59 117.0 29.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -78.48 167.57 21.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -170.36 128.34 0.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -139.39 163.15 33.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.05 -57.79 0.26 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.0 mmt -63.34 128.03 33.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.49 159.9 16.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -158.18 148.34 20.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt 44.46 41.07 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.1 p -109.54 105.7 15.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -41.03 146.3 0.41 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.79 33.9 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 m -118.42 91.82 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.3 t -141.79 162.89 34.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.525 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -118.78 91.68 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.379 . . . . 0.0 110.843 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -118.15 162.9 17.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.48 -141.88 3.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.532 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -52.61 146.49 10.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.817 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.7 p -131.84 127.75 37.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.74 49.52 0.85 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.07 60.81 4.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 63.0 mmm -47.91 -58.14 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -98.23 169.74 9.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.436 HG21 ' N ' ' A' ' 12' ' ' SER . 38.2 m -92.17 141.59 28.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.436 ' N ' HG21 ' A' ' 11' ' ' THR . 20.3 t -110.66 140.83 44.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.814 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.79 -83.18 0.13 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 mttp -42.36 137.38 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -102.97 118.29 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.559 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 28.2 t0 -126.53 169.71 12.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -91.73 -25.49 19.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.31 -51.87 68.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.085 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.559 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 9.2 p-90 -57.15 -32.02 65.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.513 HG13 ' CE2' ' A' ' 19' ' ' TRP . 96.4 mt -65.89 -39.31 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -43.23 -40.86 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ILE . 5.3 t -58.44 -48.18 81.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -39.18 -56.04 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.16 -35.82 76.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.458 HG22 ' CG2' ' A' ' 29' ' ' THR . 4.4 mm -65.2 -54.23 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ILE . 63.1 tttt -37.64 -55.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -45.03 -42.03 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.463 HD22 ' CD1' ' A' ' 56' ' ' LEU . 10.2 mp -76.3 -46.65 26.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.458 ' CG2' HG22 ' A' ' 25' ' ' ILE . 19.9 p -53.49 -27.99 28.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -84.25 -22.65 30.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 37.9 mtm -74.18 -69.41 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.8 34.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -140.31 143.16 32.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.3 Cg_endo -69.76 168.14 22.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -76.89 -32.46 57.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.539 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 8.6 mt-10 -40.12 -64.8 0.5 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.633 0.73 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.72 -50.99 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.64 -21.9 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -89.8 -51.45 5.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 4.8 pt-20 -60.77 -48.19 82.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -56.71 -62.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.7 mt -38.56 -49.62 1.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -49.16 -41.01 35.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' ALA . 19.6 m -87.99 -13.18 42.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 51' ' ' GLN . 38.8 m-80 -100.81 32.44 3.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 42.1 36.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 10.5 mmt 60.24 51.82 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -117.16 153.91 32.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.5 tp -92.74 -45.69 7.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.88 -37.09 85.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.446 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 7.4 mm100 -79.61 -41.5 26.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.409 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -66.41 -50.16 64.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 45.1 mtp -51.42 -56.01 15.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.3 t -55.96 -34.79 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.78 -33.25 75.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.463 ' CD1' HD22 ' A' ' 28' ' ' LEU . 15.2 mt -86.0 -42.81 13.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.49 -48.87 68.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -44.93 -35.15 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -97.14 39.52 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -173.55 131.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.5 p -104.28 116.21 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -161.97 122.82 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.6 t -79.94 98.94 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -148.05 112.76 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -62.8 135.27 57.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -81.39 135.15 35.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -115.85 51.34 0.73 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.01 91.71 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.12 77.54 0.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.462 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.4 p -97.2 134.68 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.926 0.393 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.5 t -81.58 80.62 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.65 131.18 41.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -73.14 131.67 42.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -80.17 -45.08 18.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.51 71.56 0.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 ttt -144.38 150.39 37.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.744 0.307 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -130.15 41.6 3.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.12 126.43 20.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -155.46 131.78 10.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.9 t -88.37 -60.66 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 133.55 -173.36 21.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.16 27.93 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.719 2.279 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.2 m -123.74 105.19 9.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.1 t -74.54 84.51 2.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -116.74 148.35 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 110.872 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -134.5 172.19 13.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.93 56.84 0.66 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -118.61 122.91 43.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -108.25 108.12 19.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.38 159.97 13.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.03 -153.97 6.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.02 74.97 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.467 ' HE2' ' N ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -82.51 131.63 35.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 m -123.77 99.5 6.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.1 p -133.05 144.16 49.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.98 41.68 3.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -118.53 167.78 11.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.71 0.291 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -82.99 84.27 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.569 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 52.7 m-20 -109.76 172.95 6.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -93.25 -37.69 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.95 -49.29 20.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 6.9 p-90 -61.91 -34.66 76.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.551 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 98.8 mt -64.49 -45.82 94.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.154 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' ILE . 0.0 OUTLIER -36.7 -45.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' ILE . 15.3 t -54.66 -49.04 71.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' HD2' ' CZ3' ' A' ' 19' ' ' TRP . 28.2 mtp180 -37.62 -54.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.7 mt -64.34 -35.41 80.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' SER . 3.1 mm -65.22 -35.65 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -55.2 -46.22 75.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -55.81 -45.14 78.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 56' ' ' LEU . 9.1 mp -69.48 -58.1 4.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.0 p -48.71 -22.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.68 -32.52 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.8 mtm -71.24 -72.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.09 41.74 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -139.05 143.64 37.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.4 Cg_endo -69.81 167.59 24.07 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.707 2.272 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -77.74 -29.5 51.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.554 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.4 mp0 -42.72 -65.57 0.53 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.741 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.6 Cg_endo -69.75 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.393 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.446 ' CB ' HD21 ' A' ' 28' ' ' LEU . . . -44.33 -29.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.064 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -82.98 -58.85 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -50.22 -40.29 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -68.51 -69.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 41' ' ' ALA . 16.2 mt -34.78 -47.26 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -52.4 -45.9 66.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' ALA . 31.7 m -85.72 -13.92 46.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.453 ' OD1' ' C ' ' A' ' 51' ' ' GLN . 30.4 m-80 -95.75 34.78 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 39.84 35.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.411 ' CE ' ' HE2' ' A' ' 21' ' ' MET . 6.2 mmt 61.13 47.4 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -112.35 152.2 28.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.6 tp -91.79 -46.95 7.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.79 -37.2 86.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.453 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 34.1 mt-30 -78.85 -39.24 35.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.47 -53.38 23.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.1 mtp -47.94 -59.31 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 t -45.92 -46.5 16.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.17 -32.1 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 28' ' ' LEU . 10.2 mt -87.88 -51.35 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 58' ' ' GLU . 13.2 mt -54.4 -57.4 11.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 57' ' ' LEU . 47.0 mm-40 -37.72 -53.75 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -59.55 -57.77 11.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -84.67 105.86 15.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.4 t -78.31 105.34 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -139.52 173.55 11.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.4 85.85 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -108.02 164.19 12.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -52.98 171.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.2 ttm-85 -61.53 95.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.0 -119.26 12.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.3 tp -126.0 -59.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.839 0.352 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 137.53 70.44 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.1 m -87.2 40.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.6 p -139.24 148.21 42.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -131.62 94.63 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -156.57 134.75 11.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -111.72 163.36 14.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.54 125.83 6.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.2 ttt -152.97 141.35 20.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.752 0.311 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.85 144.8 27.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -174.54 150.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -126.47 176.53 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.6 p -91.49 -60.5 1.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.6 150.45 24.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -173.99 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.384 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 t -129.21 177.28 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.0 p -136.82 177.82 7.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.4 p -169.5 168.59 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.8 p -68.73 122.73 19.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.48 158.39 45.35 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.453 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -94.19 96.62 9.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.817 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.4 p -66.44 171.99 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.35 -93.05 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.13 -72.18 2.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.2 mmt -119.95 117.92 29.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 110.817 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -78.44 -60.7 2.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.1 t -157.03 122.17 4.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 p -63.01 -61.28 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.62 82.87 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -151.28 118.17 5.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.71 0.291 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -68.48 109.69 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.531 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 37.8 m-20 -134.85 173.74 11.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -93.73 -37.25 11.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.18 -49.58 32.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.148 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.535 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 8.4 p-90 -62.32 -34.47 76.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.535 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 98.6 mt -64.46 -46.13 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.432 ' HE1' ' CD1' ' A' ' 42' ' ' LEU . 3.7 tpt -38.0 -40.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' ILE . 23.0 t -58.85 -45.87 89.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' ILE . 22.2 mtp180 -42.69 -49.47 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.47 -30.24 71.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.462 HG22 ' CG2' ' A' ' 29' ' ' THR . 4.2 mm -70.6 -51.68 35.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -40.42 -47.95 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -52.51 -38.42 59.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 38' ' ' ALA . 9.5 mp -80.83 -47.39 13.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.462 ' CG2' HG22 ' A' ' 25' ' ' ILE . 51.8 p -48.85 -19.51 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.86 -37.5 17.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -64.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.44 33.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -136.18 143.53 44.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 37' ' ' PRO . 53.7 Cg_endo -69.77 176.16 7.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.699 2.266 . . . . 0.0 112.349 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -85.13 -30.5 23.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.544 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 9.5 mt-10 -42.31 -65.29 0.54 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.62 0.724 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.79 -50.37 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.323 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.5 ' O ' ' CD1' ' A' ' 42' ' ' LEU . . . -47.17 -25.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.06 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -82.37 -44.36 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.81 -53.4 33.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.92 -63.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 38' ' ' ALA . 23.1 mt -40.78 -54.92 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -44.28 -36.41 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -92.79 -17.31 24.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.467 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 53.6 m-80 -98.55 37.77 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 40.25 32.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 13.2 mmt 65.09 46.88 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -110.66 153.25 25.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.5 tp -93.34 -46.2 7.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.43 -37.26 86.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -76.81 -40.64 47.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -70.25 -53.16 18.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 51.3 mtp -48.4 -50.41 30.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -62.25 -35.67 79.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.92 -27.56 69.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 mt -92.05 -41.61 10.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' GLU . 4.7 mt -70.2 -52.9 19.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' LEU . 3.1 pp20? -34.51 -40.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' GLU . 26.5 mtpp -36.56 -51.52 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -132.98 150.81 52.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.905 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.7 t -74.89 106.1 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -135.38 -175.32 3.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 p -114.07 113.1 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -106.96 172.97 6.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -67.38 150.1 49.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -41.02 -44.63 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 136.38 157.21 7.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.548 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.6 mp -88.92 101.52 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -160.19 74.14 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 p -115.7 140.52 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.1 153.39 44.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -129.1 146.5 51.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 74' ' ' ASN . 4.3 p-80 -76.83 -44.13 33.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 73' ' ' HIS . 5.2 m120 -161.69 137.79 7.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.44 173.9 24.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 ttt -153.87 119.8 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.764 0.316 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -156.96 123.72 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -174.47 125.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -75.26 -59.21 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -78.15 119.12 21.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -121.31 -158.84 10.51 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 99.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.367 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.2 m -138.62 174.51 10.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 89.2 p -174.66 157.84 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -37.49 155.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.418 ' CB ' ' HB2' ' A' ' 77' ' ' ALA . 79.7 p -86.62 -47.02 9.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.68 41.33 99.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 p -89.35 124.81 34.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.326 . . . . 0.0 110.919 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -65.52 137.93 57.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.28 147.32 17.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.33 -160.99 17.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 29.9 mmt -114.38 131.81 56.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -102.45 -45.07 5.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -78.71 -40.56 33.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.0 p -102.4 117.7 35.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.34 124.22 1.49 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -85.81 89.48 7.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.732 0.301 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -90.49 101.62 14.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.545 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 3.1 m-20 -106.9 131.65 53.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -56.23 -25.57 48.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.72 -57.86 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.564 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 8.0 p-90 -63.56 -35.94 82.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.564 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 83.7 mt -62.26 -43.14 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -40.91 -40.58 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.9 t -58.13 -46.19 86.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -42.22 -54.26 3.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 70.4 mt -61.52 -40.33 94.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.8 mm -58.96 -51.22 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -41.17 -57.7 2.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -43.62 -35.41 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 38' ' ' ALA . 9.9 mp -82.64 -42.64 17.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.1 p -55.16 -25.02 29.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -83.71 -30.53 26.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.4 mtm -66.58 -65.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.11 32.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -135.71 141.06 35.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.682 0.753 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.8 Cg_endo -69.72 158.75 55.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.436 ' HG2' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -69.53 -29.81 67.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 11.2 mm-40 -41.88 -65.29 0.52 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.615 0.721 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.6 Cg_endo -69.74 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.734 2.289 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.468 ' CB ' HD21 ' A' ' 28' ' ' LEU . . . -48.12 -21.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -88.88 -48.54 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 4.4 pt-20 -63.6 -46.28 86.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -58.84 -63.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 41' ' ' ALA . 11.6 mt -34.99 -59.99 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -42.9 -41.6 3.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' ALA . 67.7 m -85.34 -20.35 30.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.46 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 33.7 m-80 -93.69 35.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 41.81 44.92 2.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.418 ' SD ' ' CE ' ' A' ' 21' ' ' MET . 10.3 mmt 48.17 53.72 11.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.6 149.15 45.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.9 tp -85.92 -48.02 9.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.12 -37.81 84.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.44 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 36.9 mt-30 -77.58 -44.46 28.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.46 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -58.98 -51.42 70.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.093 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 18.2 mtp -50.44 -59.62 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 t -48.76 -40.26 28.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.02 -29.81 65.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.456 ' CD1' HD23 ' A' ' 28' ' ' LEU . 7.1 mt -90.61 -41.54 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.5 mt -62.04 -33.4 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.962 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.412 ' OE1' ' C ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -42.67 -29.73 0.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 60' ' ' LYS . 37.4 mtpt -83.68 37.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 34.34 44.55 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 62' ' ' ASP . 12.5 p -82.47 119.19 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 61' ' ' VAL . 18.8 m-20 -35.75 141.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.5 t -95.31 90.97 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -90.84 102.96 15.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -113.82 103.47 11.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -90.96 -46.66 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.75 142.16 3.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.6 mt -115.65 -41.97 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 120.34 97.46 1.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.1 t -89.81 -50.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 95.4 m -81.32 87.56 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -119.77 171.4 8.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -124.89 129.77 51.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -158.36 145.6 17.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.78 77.81 0.15 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -83.34 93.78 7.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.418 ' HB2' ' CB ' ' A' ' 3' ' ' SER . . . -140.02 166.98 23.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.076 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.4 -55.98 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -87.55 118.88 27.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.4 p -165.78 129.86 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.32 83.49 1.74 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 105.86 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.323 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -76.89 141.66 40.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 81.3 p -139.24 114.16 9.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.481 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -159.64 165.69 32.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.373 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.6 p -165.19 116.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.81 52.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -160.59 149.2 16.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -153.73 171.15 19.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.44 -127.69 8.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 171.57 58.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.451 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.7 tpt -59.74 90.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -100.9 129.61 46.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 77.2 p -121.11 170.82 9.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.5 p -101.77 -60.45 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.46 -162.98 0.26 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -72.9 159.67 33.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.692 0.282 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -120.6 97.76 5.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.452 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 0.8 OUTLIER -130.84 119.63 22.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.58 -27.64 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.13 -57.03 13.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.562 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 5.9 p-90 -65.47 -36.32 83.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.562 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 70.5 mt -61.62 -44.45 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.161 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.6 tpt -40.76 -38.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 25' ' ' ILE . 25.0 p -58.75 -50.59 73.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.413 ' HD2' ' CH2' ' A' ' 19' ' ' TRP . 50.2 mtp180 -37.73 -56.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' CB ' HD11 ' A' ' 42' ' ' LEU . 47.9 mt -57.72 -32.81 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 22' ' ' SER . 4.7 mm -68.93 -50.32 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -38.42 -56.43 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -45.09 -41.59 7.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 38' ' ' ALA . 10.0 mp -76.36 -55.13 5.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.47 ' CG2' HG22 ' A' ' 25' ' ' ILE . 72.4 p -44.56 -31.03 1.0 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.52 -31.83 47.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 28' ' ' LEU . 81.7 mtp -66.54 -69.18 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 167.59 38.98 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -139.34 144.42 40.08 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.2 Cg_endo -69.79 162.85 40.51 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.641 2.228 . . . . 0.0 112.336 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -72.84 -30.73 64.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.551 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 17.3 mm-40 -41.41 -65.39 0.49 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.645 0.736 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.7 Cg_endo -69.74 -51.01 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.24 . . . . 0.0 112.334 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.466 ' CB ' HD21 ' A' ' 28' ' ' LEU . . . -39.75 -31.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -83.27 -60.14 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -50.14 -50.41 48.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.23 -67.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.427 HD11 ' CB ' ' A' ' 24' ' ' LEU . 15.2 mt -40.56 -52.59 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -47.81 -42.35 25.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -86.41 -19.85 29.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 45.0 m-80 -92.86 29.09 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 43.48 41.0 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.7 mmt 61.58 51.12 4.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.434 ' CB ' ' HB2' ' A' ' 51' ' ' GLN . 9.2 m120 -117.58 131.23 56.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -79.78 -56.62 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -41.5 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.434 ' HB2' ' CB ' ' A' ' 48' ' ' ASN . 30.8 mm-40 -67.59 -51.52 49.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.409 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -58.62 -56.13 26.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 49.7 mtp -41.93 -59.64 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.1 t -53.43 -40.08 64.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.14 -27.45 69.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.419 ' CD2' ' HB2' ' A' ' 37' ' ' PRO . 4.6 mt -88.64 -37.05 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 58' ' ' GLU . 7.2 mt -73.84 -55.0 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 pp20? -35.15 -38.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -52.86 -58.96 5.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -122.37 133.75 54.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -83.59 105.06 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.47 178.66 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.5 p -103.38 109.28 26.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -151.46 178.17 9.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -130.72 122.03 26.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -66.29 123.49 20.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.04 124.29 1.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.5 mt -136.66 138.48 41.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.351 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -144.92 101.11 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.8 t -57.39 105.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 111.135 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 57.2 m -114.64 -50.09 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -94.27 91.39 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -53.92 112.68 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -66.13 98.85 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.25 154.84 16.34 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -55.61 9.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.722 0.296 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -151.55 168.66 24.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -159.22 150.05 19.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -159.56 158.78 32.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.9 t -168.76 166.49 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 154.64 146.46 4.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 157.91 58.76 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.9 p -174.43 166.08 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.3 m -95.09 178.22 5.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m 39.9 42.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.914 0.388 . . . . 0.0 110.893 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 t -58.45 118.74 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.819 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.59 68.98 0.67 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -131.49 125.24 31.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.912 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -49.66 144.48 6.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.827 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.5 90.19 1.42 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 178.9 -75.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.539 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.15 108.58 16.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.51 41.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.2 m -48.27 118.23 2.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 t -51.65 -49.62 61.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.34 -163.52 54.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.532 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -38.6 153.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.71 0.291 . . . . 0.0 110.924 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -73.31 122.11 21.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 12.7 m-20 -112.51 170.93 7.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -92.08 -30.31 16.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.1 -50.2 69.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 7.9 p-90 -59.27 -33.73 71.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.519 HG13 ' CE2' ' A' ' 19' ' ' TRP . 89.8 mt -64.21 -47.6 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.459 ' CE ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -34.62 -44.52 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' ILE . 6.2 t -56.04 -51.63 67.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' SER . 24.4 mtp180 -35.68 -55.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.17 -39.78 95.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.458 HG21 ' CG2' ' A' ' 29' ' ' THR . 3.7 mm -59.42 -48.29 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' ILE . 14.3 ttmm -37.62 -56.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -42.71 -48.95 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 31' ' ' MET . 10.9 mp -70.83 -53.45 15.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.458 ' CG2' HG21 ' A' ' 25' ' ' ILE . 44.5 p -42.7 -34.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.54 -29.22 33.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 28' ' ' LEU . 9.9 mtt -65.8 -69.04 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.419 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 170.3 38.86 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 2.3 m-85 -147.3 141.66 16.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.77 157.95 58.61 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.647 2.231 . . . . 0.0 112.369 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -68.4 -30.48 69.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.542 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -41.31 -65.34 0.49 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 110.895 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.6 Cg_endo -69.74 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.463 ' CB ' HD23 ' A' ' 28' ' ' LEU . . . -46.35 -22.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -86.15 -55.06 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -58.16 -41.88 84.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -62.24 -61.15 2.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.459 HD13 ' CE ' ' A' ' 21' ' ' MET . 29.5 mt -36.74 -55.82 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.426 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 9.0 mtpm? -44.63 -44.29 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' ALA . 20.8 m -81.84 -16.25 51.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.449 ' OD1' ' C ' ' A' ' 51' ' ' GLN . 31.6 m-80 -99.99 33.73 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.6 m120 47.17 35.81 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.426 ' CE ' ' HA ' ' A' ' 43' ' ' LYS . 11.1 mmt 57.77 44.91 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.451 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 8.5 t-20 -110.43 157.79 19.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.1 tp -93.91 -47.97 6.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -64.22 -37.52 87.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.449 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 18.1 mm-40 -78.2 -41.86 33.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.433 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -63.41 -52.25 62.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.8 mtp -50.06 -58.4 5.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 t -50.27 -29.5 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.46 -34.13 73.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.45 ' CD1' HD22 ' A' ' 28' ' ' LEU . 27.0 mt -85.58 -54.16 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.8 mt -48.04 -47.06 33.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -42.94 -60.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -52.07 -50.61 61.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -130.41 123.95 31.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.2 t -91.62 122.96 43.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -129.83 167.06 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.2 t -81.0 86.94 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -96.89 167.95 10.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -126.04 145.42 50.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -63.8 -42.75 97.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.2 135.92 13.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.5 pp -128.74 177.07 7.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.9 95.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.5 m -84.43 159.2 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 111.109 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.2 m -76.45 117.69 18.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -123.08 -179.14 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.8 m170 56.42 44.03 25.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -98.13 168.27 10.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.12 -177.1 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 28.6 mtp -78.41 165.98 23.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.95 -64.47 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.06 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.9 95.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -60.46 151.01 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.9 p -53.38 -46.19 69.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 142.69 -158.25 26.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 90.78 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.1 p -103.61 145.63 29.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.7 p -82.85 -49.08 10.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.8 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.743 0.306 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.567 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 7.0 p-90 -58.21 -34.69 70.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.567 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 92.6 mt -64.19 -41.93 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.435 ' HE2' ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -40.42 -43.25 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' ILE . 34.5 t -55.89 -51.46 67.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' SER . 11.8 mtp180 -36.6 -56.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.506 HD13 HD22 ' A' ' 42' ' ' LEU . 24.6 mt -60.85 -36.4 79.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.586 HG22 HG23 ' A' ' 29' ' ' THR . 3.5 mm -64.21 -51.69 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' ILE . 23.9 tptp -35.04 -42.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -65.86 -64.92 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.505 HD12 ' HE1' ' A' ' 31' ' ' MET . 7.5 mp -47.04 -38.15 10.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.586 HG23 HG22 ' A' ' 25' ' ' ILE . 67.6 p -69.43 -32.21 71.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -69.34 -36.38 76.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.505 ' HE1' HD12 ' A' ' 28' ' ' LEU . 17.4 mtm -63.49 -65.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.64 38.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -132.38 145.37 56.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.467 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.3 Cg_endo -69.77 154.96 67.09 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.652 2.234 . . . . 0.0 112.333 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -70.63 -21.3 62.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 3.7 mt-10 -49.2 -64.23 1.28 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.66 0.743 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.566 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.5 Cg_endo -69.76 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.364 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.883 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -48.66 -26.2 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -86.24 -31.45 21.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -79.11 -53.6 6.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -57.23 -58.71 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 38' ' ' ALA . 9.9 mt -37.1 -63.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.435 ' HG2' ' HE2' ' A' ' 21' ' ' MET . 74.8 mttt -47.83 -33.01 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 41' ' ' ALA . 4.6 t -87.62 -20.29 26.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.814 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.537 HD21 ' HB3' ' A' ' 51' ' ' GLN . 15.7 m120 -94.41 21.77 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 54.6 38.94 30.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.9 mmt 62.26 45.94 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -110.25 144.32 39.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.409 ' CD1' ' CD1' ' A' ' 28' ' ' LEU . 11.4 tp -88.28 -63.09 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -52.57 -43.08 65.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.537 ' HB3' HD21 ' A' ' 45' ' ' ASN . 63.1 mt-30 -60.93 -54.71 41.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . -59.02 -59.69 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 52' ' ' ALA . 63.9 mtp -37.4 -57.18 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.9 m -58.72 -35.63 72.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -69.98 -23.55 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.566 HD22 ' HB2' ' A' ' 37' ' ' PRO . 17.8 mt -89.71 -32.43 17.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.1 mt -80.78 -38.68 28.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.898 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.739 0.304 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.538 ' CE2' HG13 ' A' ' 20' ' ' ILE . 9.1 p-90 -60.98 -33.51 73.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.538 HG13 ' CE2' ' A' ' 19' ' ' TRP . 87.1 mt -62.83 -48.8 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.9 tpt -34.85 -44.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 25' ' ' ILE . 8.3 t -55.15 -48.88 73.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' ILE . 24.5 mtp85 -38.0 -53.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.418 HD12 ' CE ' ' A' ' 21' ' ' MET . 37.4 mt -63.55 -32.78 74.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.514 HG22 HG23 ' A' ' 29' ' ' THR . 3.8 mm -69.11 -43.11 81.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -44.73 -55.45 5.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -47.33 -51.87 18.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.584 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.0 mp -63.0 -59.21 5.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.514 HG23 HG22 ' A' ' 25' ' ' ILE . 25.1 p -46.3 -26.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -75.99 -34.51 59.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.563 ' HE2' ' HA ' ' A' ' 28' ' ' LEU . 32.0 mtm -67.19 -66.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.39 38.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -133.79 143.54 48.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.7 Cg_endo -69.79 160.79 48.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.616 2.21 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -71.42 -29.63 65.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.536 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 7.6 mt-10 -42.16 -64.79 0.61 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.1 Cg_endo -69.77 -50.99 0.41 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.682 2.255 . . . . 0.0 112.306 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.97 -36.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -75.96 -58.05 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -52.95 -56.75 13.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -47.53 -66.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' ALA . 14.2 mt -35.53 -55.64 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -47.41 -42.28 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' ALA . 33.2 t -80.71 -27.34 36.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.646 HD21 ' HB3' ' A' ' 51' ' ' GLN . 27.6 m120 -88.55 28.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.5 m120 45.81 41.92 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 18.7 mmt 62.44 38.12 13.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -105.46 142.35 35.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.5 tp -87.31 -62.74 1.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -45.88 -42.87 13.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.646 ' HB3' HD21 ' A' ' 45' ' ' ASN . 75.2 mm-40 -66.1 -45.0 82.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.23 -59.54 4.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 70.4 mtp -42.85 -44.31 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 t -66.75 -44.91 80.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.18 -34.58 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.148 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 37' ' ' PRO . 6.4 mt -81.08 -39.66 25.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.98 -35.38 76.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.9 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.811 0.339 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.58 ' CH2' ' HD3' ' A' ' 23' ' ' ARG . 11.9 p-90 -60.96 -31.56 71.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.534 HG13 ' CE2' ' A' ' 19' ' ' TRP . 29.6 mt -67.56 -40.07 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.1 tpt -40.25 -39.94 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' ILE . 57.9 m -63.03 -45.67 91.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.58 ' HD3' ' CH2' ' A' ' 19' ' ' TRP . 12.9 mtm180 -36.59 -60.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.5 mt -57.04 -32.03 65.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.714 HG22 HG23 ' A' ' 29' ' ' THR . 2.7 mm -69.45 -48.42 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -43.23 -44.45 5.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -56.52 -38.09 71.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' MET . 10.0 mp -80.29 -55.2 5.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.714 HG23 HG22 ' A' ' 25' ' ' ILE . 69.5 p -44.97 -34.69 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -80.6 -26.66 37.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 28' ' ' LEU . 17.4 mtp -69.77 -65.45 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.01 35.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.522 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -139.05 145.26 44.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.649 0.738 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.8 Cg_endo -69.75 157.01 61.86 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -68.62 -28.23 66.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.536 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -43.18 -64.84 0.65 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.641 0.734 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.8 Cg_endo -69.75 -50.99 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.15 -29.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.043 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -84.81 -49.29 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.1 -51.33 69.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -51.3 -69.27 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' ASN . 84.1 mt -36.28 -63.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' LEU . 18.9 mmtp -37.76 -41.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.3 t -82.66 -33.11 27.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' LEU . 44.6 m-80 -85.4 34.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.416 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 0.2 OUTLIER 41.57 38.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.8 mmt 63.78 53.06 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.442 ' O ' HD23 ' A' ' 42' ' ' LEU . 39.9 m-80 -118.14 144.21 45.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.407 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.4 tp -86.65 -56.26 3.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.77 -42.66 93.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.411 ' HB2' ' CB ' ' A' ' 48' ' ' ASN . 30.7 mt-30 -68.74 -41.5 78.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.518 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -64.77 -58.61 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 29.2 mtp -38.69 -62.34 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.6 t -46.24 -35.25 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -64.93 -33.49 76.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.085 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' A' ' 37' ' ' PRO . 19.1 mt -84.09 -40.6 18.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' GLU . 8.9 mt -67.16 -55.35 14.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' LEU . 16.4 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.737 0.303 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.573 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.3 p-90 -57.76 -36.55 72.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.573 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 74.8 mt -60.64 -47.69 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' ILE . 14.0 tpp -37.45 -45.22 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.5 m -52.24 -47.6 65.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -41.68 -58.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 mt -56.95 -33.94 67.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.557 HG22 HG23 ' A' ' 29' ' ' THR . 5.6 mm -67.21 -50.86 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -43.01 -58.59 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -42.65 -41.89 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.572 ' CD1' HD11 ' A' ' 49' ' ' LEU . 9.2 mp -75.41 -57.33 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.557 HG23 HG22 ' A' ' 25' ' ' ILE . 67.1 p -40.72 -37.1 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.42 -42.08 83.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' LEU . 4.8 mmt -56.33 -59.33 5.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.04 33.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -128.42 144.1 50.69 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.2 Cg_endo -69.74 155.57 65.64 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -68.98 -25.44 64.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.533 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 1.8 mm-40 -45.67 -64.95 0.74 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.618 0.723 . . . . 0.0 110.899 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.533 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.04 -28.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -82.29 -62.02 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -50.31 -54.11 23.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.22 -63.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.4 mt -42.55 -47.05 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.806 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 1.8 mmmp? -55.11 -34.9 64.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.4 m -94.36 -16.38 23.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -99.93 27.48 5.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 43.37 47.36 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.806 ' HE1' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 51.24 53.98 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -118.79 123.26 44.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.572 HD11 ' CD1' ' A' ' 28' ' ' LEU . 9.9 tp -67.03 -66.83 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -43.34 -46.93 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.98 -49.12 73.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -55.4 -59.49 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.608 ' O ' HD12 ' A' ' 57' ' ' LEU . 31.7 mtp -42.29 -61.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.5 t -57.63 -27.27 62.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -73.63 -23.94 59.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.453 HD22 ' HB2' ' A' ' 37' ' ' PRO . 39.8 mt -92.29 -50.42 5.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 53' ' ' MET . 5.4 mp -57.61 -47.48 82.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' LEU . 9.0 pt-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.754 0.311 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.581 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.8 p-90 -63.23 -34.13 76.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.581 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 77.3 mt -65.65 -44.96 93.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.44 ' CE ' ' HB2' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -38.9 -40.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 25' ' ' ILE . 30.5 t -58.74 -48.25 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -39.92 -55.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.418 HD13 HD22 ' A' ' 42' ' ' LEU . 8.7 mt -55.56 -34.97 65.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.647 HG22 HG23 ' A' ' 29' ' ' THR . 3.2 mm -64.92 -43.9 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -50.66 -26.0 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -74.73 -37.52 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mp -80.68 -45.41 17.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.647 HG23 HG22 ' A' ' 25' ' ' ILE . 60.4 p -51.46 -28.9 14.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.22 -37.12 61.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -72.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.69 32.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -130.43 145.56 57.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.478 ' HG2' ' CG ' ' A' ' 37' ' ' PRO . 54.1 Cg_endo -69.75 174.16 9.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' CD ' ' H ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -84.7 -28.06 26.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.537 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 5.6 mt-10 -44.24 -64.69 0.75 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.688 0.756 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.75 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.98 -23.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -88.4 -52.95 4.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 6.1 pt-20 -57.75 -45.88 85.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.45 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -56.85 -58.81 6.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.44 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 33.3 mt -41.14 -54.51 2.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -46.53 -42.81 16.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 m -81.47 -26.15 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.531 HD21 ' HB3' ' A' ' 51' ' ' GLN . 29.4 m120 -90.68 30.26 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 43.99 40.21 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.7 mmt 63.3 37.76 10.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -102.29 144.53 30.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -85.56 -67.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.46 -47.24 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.531 ' HB3' HD21 ' A' ' 45' ' ' ASN . 91.0 mm-40 -63.87 -38.07 89.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.6 -60.8 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.407 ' HA ' HD12 ' A' ' 56' ' ' LEU . 44.2 mtp -44.29 -62.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 t -47.36 -48.04 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.84 -30.54 23.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 53' ' ' MET . 3.0 mt -91.44 -61.48 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mt -47.59 -29.27 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.92 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.804 0.335 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.578 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 7.0 p-90 -54.84 -35.54 64.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.578 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 86.7 mt -62.92 -48.41 88.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.608 ' HE2' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -35.63 -43.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.8 m -56.52 -47.92 78.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' ILE . 29.3 mtp180 -39.79 -57.74 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.0 mt -57.37 -42.1 81.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.481 HG22 HG23 ' A' ' 29' ' ' THR . 7.6 mm -54.26 -50.98 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 27' ' ' GLN . 42.5 tptt -41.21 -61.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' LYS . 15.2 mm100 -38.01 -38.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' MET . 11.0 mp -79.8 -52.46 7.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.481 HG23 HG22 ' A' ' 25' ' ' ILE . 60.6 p -44.62 -29.54 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -80.26 -32.25 38.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' LEU . 17.4 mtt -65.23 -66.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.71 37.55 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -140.61 142.91 30.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.73 166.18 28.44 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -75.1 -32.38 61.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.543 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.2 mt-10 -40.13 -65.1 0.47 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.694 0.759 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.71 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.496 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -45.25 -22.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.437 ' HA ' HD11 ' A' ' 25' ' ' ILE . 11.2 tt0 -90.3 -55.04 3.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 6.1 pt-20 -54.98 -43.5 73.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -62.13 -60.87 2.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.608 HD13 ' HE2' ' A' ' 21' ' ' MET . 26.6 mt -36.04 -54.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -47.0 -43.25 19.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ALA . 48.7 m -83.89 -17.8 39.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -94.91 32.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 41.4 34.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 11.3 mmt 62.52 51.88 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -118.96 148.68 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 tp -87.99 -59.84 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -53.48 -42.42 67.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -66.91 -49.34 65.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.41 -56.12 26.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 20.2 mtp -45.93 -61.39 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.8 t -50.85 -40.9 57.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.26 -34.21 70.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 mt -84.01 -40.47 18.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.3 -45.24 94.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.778 0.323 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.588 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.6 p-90 -56.15 -35.96 67.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.588 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 85.6 mt -62.2 -49.36 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -34.41 -44.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' ARG . 24.1 t -54.41 -49.72 69.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ILE . 22.4 mtp85 -37.58 -58.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.1 mt -57.02 -38.31 72.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.658 HG22 HG23 ' A' ' 29' ' ' THR . 11.1 mm -61.47 -52.97 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ILE . 43.9 tptt -36.54 -62.46 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -38.36 -43.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' MET . 10.0 mp -74.52 -58.59 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.658 HG23 HG22 ' A' ' 25' ' ' ILE . 58.3 p -39.33 -36.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.95 -40.49 78.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 28' ' ' LEU . 9.7 mtt -57.48 -64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.76 36.1 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -132.39 142.72 45.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.684 0.754 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.74 157.27 61.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -68.22 -29.38 68.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.536 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -42.15 -64.7 0.63 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.925 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.574 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.83 -50.96 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.298 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.445 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -42.91 -40.57 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.442 ' HA ' HD11 ' A' ' 25' ' ' ILE . 44.1 tt0 -72.3 -48.42 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -59.91 -59.28 5.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -46.33 -64.66 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 45' ' ' ASN . 16.1 mt -35.53 -64.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 32.4 mttp -38.87 -39.55 0.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 41' ' ' ALA . 16.2 m -83.16 -31.75 26.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' LEU . 59.9 m-80 -86.49 34.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 41.52 36.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.431 ' SD ' ' CE ' ' A' ' 21' ' ' MET . 12.1 mmt 65.56 46.72 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -110.71 152.66 26.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.2 tp -91.93 -61.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -54.77 -42.48 71.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -64.13 -47.57 79.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.52 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -63.79 -60.62 3.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 55.7 mtp -38.38 -64.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -48.81 -35.57 14.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -64.63 -34.71 78.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.574 HD22 ' HB2' ' A' ' 37' ' ' PRO . 16.5 mt -83.92 -38.64 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' GLU . 6.8 mt -70.1 -53.71 16.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.0 pp20? . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.763 0.316 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.551 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 7.8 p-90 -55.93 -34.07 65.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.551 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 86.5 mt -65.1 -47.5 87.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.529 ' CE ' HD12 ' A' ' 24' ' ' LEU . 1.4 tpt -35.59 -42.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' ILE . 22.5 t -57.59 -49.71 75.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' ILE . 31.0 mtp180 -37.17 -54.35 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.529 HD12 ' CE ' ' A' ' 21' ' ' MET . 26.1 mt -61.58 -39.54 91.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.563 HG22 HG23 ' A' ' 29' ' ' THR . 9.5 mm -57.22 -48.05 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -42.11 -63.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -38.26 -46.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.18 -56.22 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.563 HG23 HG22 ' A' ' 25' ' ' ILE . 70.5 p -51.01 -18.1 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.8 -29.14 24.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 13.8 mtt -72.55 -56.27 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.79 38.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -134.18 143.5 47.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.671 0.748 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 54.1 Cg_endo -69.73 156.67 62.8 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.753 2.302 . . . . 0.0 112.324 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -69.32 -26.66 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.6 mm-40 -44.6 -65.17 0.66 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.657 0.741 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 54.0 Cg_endo -69.74 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.472 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -41.99 -39.07 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HA ' HD11 ' A' ' 25' ' ' ILE . 12.9 tt0 -73.45 -49.63 25.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.07 -58.76 7.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -43.99 -65.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.515 HD13 ' CE ' ' A' ' 21' ' ' MET . 19.3 mt -35.3 -59.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -43.67 -41.13 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' ALA . 20.3 m -81.29 -27.95 34.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -90.42 30.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 45.52 38.39 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.476 ' CE ' ' SD ' ' A' ' 21' ' ' MET . 11.4 mmt 64.23 40.37 6.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -104.95 142.01 35.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.9 tp -82.96 -66.32 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.4 -45.56 17.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -65.44 -47.23 76.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.14 -58.73 7.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.8 mtp -43.53 -59.68 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 t -52.29 -47.21 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.55 -31.59 36.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.5 HD22 ' HB2' ' A' ' 37' ' ' PRO . 17.1 mt -86.16 -57.33 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.3 mt -46.66 -43.36 17.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.581 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.2 p-90 -62.27 -35.86 80.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.581 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 90.4 mt -62.39 -41.02 90.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.629 ' HE1' ' HB2' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -42.54 -39.6 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' ILE . 3.4 p -58.09 -51.54 69.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' SER . 18.7 mtp85 -37.53 -52.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.02 -40.33 97.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.519 HD11 ' HA ' ' A' ' 39' ' ' GLU . 4.6 mm -59.71 -50.47 79.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -42.88 -58.99 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -41.22 -38.03 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.586 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.7 mp -79.97 -52.99 7.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.482 HG23 HG22 ' A' ' 25' ' ' ILE . 67.9 p -43.16 -37.58 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -71.51 -34.78 70.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' LEU . 19.8 mtt -62.35 -65.39 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.451 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 161.02 41.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 8.9 m-85 -141.81 143.7 29.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.675 0.75 . . . . 0.0 110.844 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.8 Cg_endo -69.81 159.06 54.76 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -70.27 -28.55 65.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.529 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 3.4 mm-40 -42.87 -64.47 0.72 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.699 0.762 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.77 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.808 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -47.67 -20.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.519 ' HA ' HD11 ' A' ' 25' ' ' ILE . 11.1 tp10 -87.74 -56.56 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 4.6 pt-20 -59.73 -47.59 85.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.489 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -50.63 -64.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.808 HD12 ' O ' ' A' ' 38' ' ' ALA . 21.3 mt -43.19 -65.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HG2' ' CE ' ' A' ' 21' ' ' MET . 2.4 mmmp? -42.04 -25.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' LEU . 1.3 t -95.14 -29.82 14.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' LEU . 49.6 m-80 -92.05 25.75 2.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 m120 57.54 40.96 26.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.419 ' N ' ' SD ' ' A' ' 47' ' ' MET . 8.7 mmm 60.11 44.4 13.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.775 ' O ' HD23 ' A' ' 42' ' ' LEU . 3.0 m-20 -107.13 148.74 28.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.586 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.2 tp -92.86 -59.45 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -55.51 -44.09 76.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -64.71 -47.96 76.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' MET . . . -61.92 -59.52 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.577 ' HA ' HD12 ' A' ' 56' ' ' LEU . 42.9 mtp -35.07 -59.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.9 t -50.76 -52.85 36.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.49 -16.79 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 53' ' ' MET . 21.6 mt -92.43 -47.21 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 53' ' ' MET . 5.3 mp -66.1 -38.59 88.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' LEU . 8.9 mt-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.759 0.314 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.514 ' CE2' HG13 ' A' ' 20' ' ' ILE . 8.2 p-90 -61.28 -33.99 74.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.514 HG13 ' CE2' ' A' ' 19' ' ' TRP . 67.3 mt -63.5 -45.89 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' ILE . 18.9 tpp -37.08 -43.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' ARG . 4.4 m -56.84 -49.9 74.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' SER . 36.3 mtp180 -36.72 -59.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.8 mt -58.73 -38.8 79.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.561 HG22 HG23 ' A' ' 29' ' ' THR . 5.0 mm -60.5 -52.27 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -41.03 -60.8 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -40.47 -40.96 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.5 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 10.0 mp -76.76 -51.97 10.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.561 HG23 HG22 ' A' ' 25' ' ' ILE . 58.9 p -47.93 -24.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -84.66 -31.23 24.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.5 ' HE2' ' HA ' ' A' ' 28' ' ' LEU . 62.1 mtm -66.75 -64.92 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.66 39.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -137.84 144.02 42.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.711 0.767 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 54.5 Cg_endo -69.74 157.34 60.76 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.0 ptt-85 -70.07 -26.47 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.4 mt-10 -44.79 -65.11 0.67 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.683 0.754 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.4 Cg_endo -69.8 -50.83 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.91 -25.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -85.13 -61.08 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 7.3 pt-20 -51.09 -46.69 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -53.6 -68.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 45' ' ' ASN . 94.0 mt -39.07 -56.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.405 ' HD2' ' HE1' ' A' ' 47' ' ' MET . 8.8 mmmm -42.24 -38.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -94.04 -19.89 20.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' LEU . 29.8 m120 -96.55 24.88 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.0 m120 44.14 49.71 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.493 ' N ' ' SD ' ' A' ' 47' ' ' MET . 0.0 OUTLIER 48.57 54.54 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 37.3 m-20 -115.07 130.53 56.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 tp -77.43 -56.27 4.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -55.6 -41.4 73.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.424 ' HB2' ' CB ' ' A' ' 48' ' ' ASN . 39.2 mm-40 -73.43 -47.3 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 48' ' ' ASN . . . -56.22 -52.22 65.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.6 mtp -47.77 -59.71 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 t -51.24 -43.44 61.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.48 -31.4 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 mt -88.26 -42.29 12.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.65 -31.07 70.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.764 0.316 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.535 ' CE2' HG13 ' A' ' 20' ' ' ILE . 7.5 p-90 -59.57 -34.43 72.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.535 HG13 ' CE2' ' A' ' 19' ' ' TRP . 74.4 mt -63.72 -48.27 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.132 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' ILE . 9.0 tpp -34.74 -44.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' ILE . 3.7 m -54.89 -50.89 67.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ILE . 17.8 mtp85 -38.2 -56.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.7 mt -58.24 -37.46 74.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.541 HG22 ' CG2' ' A' ' 29' ' ' THR . 4.2 mm -64.95 -50.97 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.8 tttt -43.18 -51.67 5.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -48.74 -35.17 13.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.505 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.1 mp -83.52 -50.5 8.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.541 ' CG2' HG22 ' A' ' 25' ' ' ILE . 24.3 p -48.0 -24.49 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -84.12 -34.0 24.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 15.0 mtt -63.95 -64.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 161.53 40.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 10.8 m-85 -140.66 143.82 33.82 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 54.0 Cg_endo -69.74 156.86 62.32 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.679 2.253 . . . . 0.0 112.398 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -68.99 -27.67 65.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.543 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 1.9 mm-40 -43.75 -65.34 0.6 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.645 0.736 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.552 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.9 Cg_endo -69.75 -50.94 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.7 -25.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' PRO . 12.2 tt0 -84.23 -62.48 1.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 5.8 pt-20 -50.26 -43.86 53.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -57.23 -68.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' ALA . 72.3 mt -34.87 -49.91 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.631 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 19.0 mmtp -46.37 -46.39 18.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ALA . 23.3 t -87.03 -20.29 27.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.458 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 46.9 m-80 -91.82 16.03 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 63.1 t30 53.43 47.35 24.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.631 ' HE1' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 48.43 50.31 16.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -118.25 148.43 42.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 28' ' ' LEU . 7.9 tp -86.75 -47.28 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.7 -37.62 84.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.421 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 17.7 mm100 -79.9 -40.07 29.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.458 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -65.55 -51.39 60.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.623 ' O ' HD12 ' A' ' 57' ' ' LEU . 48.8 mtp -49.82 -62.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 t -52.31 -36.43 53.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.91 -28.36 69.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.552 HD22 ' HB2' ' A' ' 37' ' ' PRO . 60.4 mt -92.31 -51.23 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 53' ' ' MET . 5.4 mp -56.49 -46.69 80.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 pp20? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.726 0.298 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.57 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 8.5 p-90 -61.32 -35.25 76.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.57 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 91.2 mt -63.28 -47.59 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.476 ' CE ' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -35.6 -43.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.84 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.7 m -56.99 -49.72 74.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.794 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' ILE . 13.1 mtp180 -39.61 -57.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.7 mt -57.67 -39.17 76.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.633 HG22 HG23 ' A' ' 29' ' ' THR . 3.5 mm -61.27 -56.58 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -35.51 -59.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -41.34 -43.67 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.423 ' CD1' HD11 ' A' ' 49' ' ' LEU . 8.5 mp -74.29 -51.84 14.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.633 HG23 HG22 ' A' ' 25' ' ' ILE . 39.6 p -51.58 -21.94 2.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -84.91 -25.44 27.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.0 mtm -73.71 -69.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.13 30.16 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -131.59 145.99 59.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.485 ' HG2' ' CG ' ' A' ' 37' ' ' PRO . 53.4 Cg_endo -69.77 178.53 4.48 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.306 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -25.78 21.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.542 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 5.8 mt-10 -46.73 -64.97 0.78 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.83 -50.87 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.344 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.84 -24.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -87.6 -56.97 3.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -53.24 -40.49 64.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -60.36 -71.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 41' ' ' ALA . 58.0 mt -34.71 -49.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.462 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 32.5 mttp -43.76 -47.72 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' ALA . 6.1 t -89.42 -21.18 23.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -90.39 27.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.442 ' HB2' ' ND2' ' A' ' 48' ' ' ASN . 3.9 m120 42.33 45.73 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.499 ' N ' ' SD ' ' A' ' 47' ' ' MET . 0.0 OUTLIER 50.66 53.56 12.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.442 ' ND2' ' HB2' ' A' ' 46' ' ' ASN . 40.1 m-80 -112.83 132.81 55.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.423 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.3 tp -76.2 -62.21 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -50.04 -45.04 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -64.79 -51.51 61.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.8 -57.01 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.3 mtp -44.47 -53.99 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.8 t -58.95 -35.7 73.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.3 -36.3 83.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 37' ' ' PRO . 8.2 mt -82.11 -39.21 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mt -64.73 -47.83 76.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.576 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.8 p-90 -63.32 -34.78 78.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.576 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 85.1 mt -64.26 -46.51 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.45 ' CE ' ' HE1' ' A' ' 47' ' ' MET . 0.2 OUTLIER -38.48 -40.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -59.0 -44.35 91.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' ILE . 29.6 mtp180 -44.72 -49.03 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.8 mt -65.02 -30.05 71.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.495 HG22 HG23 ' A' ' 29' ' ' THR . 7.5 mm -67.06 -47.85 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -41.3 -61.31 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -41.17 -52.08 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mp -62.98 -50.41 70.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.495 HG23 HG22 ' A' ' 25' ' ' ILE . 62.0 p -56.42 -20.64 20.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.08 -15.15 34.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 71.1 mtp -85.5 -64.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 165.59 39.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.534 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 14.4 m-85 -141.19 143.03 29.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.627 0.727 . . . . 0.0 110.94 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.3 Cg_endo -69.77 163.15 39.36 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.4 ptt-85 -71.95 -32.75 67.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.55 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.1 mt-10 -39.79 -65.53 0.42 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.7 Cg_endo -69.8 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.329 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.41 -40.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -78.52 -56.08 4.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.62 -59.03 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -51.92 -63.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' ALA . 18.2 mt -35.02 -60.07 0.47 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' CG ' ' HE1' ' A' ' 21' ' ' MET . 21.2 mtpt -43.8 -48.06 8.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.9 m -77.82 -20.89 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -94.35 30.97 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 m120 42.2 36.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.45 ' HE1' ' CE ' ' A' ' 21' ' ' MET . 11.3 mmt 65.54 43.48 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -106.43 137.08 45.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -82.67 -63.86 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -48.55 -45.6 37.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -66.23 -42.76 88.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.65 -59.57 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 58.3 mtp -43.12 -59.72 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.8 t -53.84 -38.37 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.76 -23.41 67.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' A' ' 37' ' ' PRO . 52.6 mt -91.75 -53.39 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 58' ' ' GLU . 7.8 mt -55.73 -53.33 57.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.5 pp20? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.79 0.329 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.574 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 5.9 p-90 -49.81 -36.84 27.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.574 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 97.4 mt -60.31 -45.34 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.473 ' SD ' HD13 ' A' ' 42' ' ' LEU . 1.4 tpp -38.86 -42.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 23' ' ' ARG . 3.7 p -54.61 -51.76 64.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' SER . 35.1 mtp180 -36.32 -57.68 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.452 HD13 HD22 ' A' ' 42' ' ' LEU . 22.0 mt -57.62 -40.52 79.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.545 HG22 HG23 ' A' ' 29' ' ' THR . 13.1 mm -56.19 -54.79 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -36.24 -61.58 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.874 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -41.99 -54.34 3.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 9.9 mp -61.0 -54.67 42.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.545 HG23 HG22 ' A' ' 25' ' ' ILE . 82.3 p -51.81 -27.97 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.3 -25.9 46.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.465 ' HE2' ' HA ' ' A' ' 28' ' ' LEU . 39.1 mtm -74.68 -59.88 2.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.27 39.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -138.06 143.57 40.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.677 0.751 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.468 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.76 160.04 51.19 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.667 2.245 . . . . 0.0 112.387 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 ptt85 -71.07 -29.29 65.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.544 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 5.5 mm-40 -42.45 -65.41 0.54 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.636 0.731 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.8 Cg_endo -69.73 -50.98 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.789 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -41.47 -35.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.078 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -76.89 -56.92 4.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -54.81 -56.01 24.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -47.23 -68.05 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 38' ' ' ALA . 8.8 mt -35.03 -65.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -41.07 -38.62 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 41' ' ' ALA . 29.8 m -81.13 -31.97 33.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.808 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' LEU . 60.8 m-80 -85.32 26.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 49.44 46.04 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 2.4 mmt 57.13 46.31 19.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -112.8 139.04 48.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.3 tp -86.85 -61.32 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -50.43 -44.13 55.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -62.6 -47.64 82.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' MET . . . -61.58 -60.7 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' ALA . 67.3 mtp -35.58 -47.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.9 p -67.69 -45.11 76.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -57.44 -34.46 68.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.403 HD22 ' HB2' ' A' ' 37' ' ' PRO . 4.8 mt -83.23 -46.07 13.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' GLU . 10.7 mt -58.15 -46.28 85.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' LEU . 3.1 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.722 0.296 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.536 ' CE2' HG13 ' A' ' 20' ' ' ILE . 9.2 p-90 -57.15 -32.02 65.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.536 HG13 ' CE2' ' A' ' 19' ' ' TRP . 96.4 mt -65.89 -39.31 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.643 ' CE ' HD13 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -43.23 -40.86 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ILE . 5.3 t -58.44 -48.18 81.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -39.18 -56.04 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.16 -35.82 76.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.591 HG22 ' CG2' ' A' ' 29' ' ' THR . 4.4 mm -65.2 -54.23 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ILE . 63.1 tttt -37.64 -55.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -45.03 -42.03 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.2 mp -76.3 -46.65 26.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.591 ' CG2' HG22 ' A' ' 25' ' ' ILE . 19.9 p -53.49 -27.99 28.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -84.25 -22.65 30.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 37.9 mtm -74.18 -69.41 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.8 34.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -140.31 143.16 32.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.3 Cg_endo -69.76 168.14 22.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -76.89 -32.46 57.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.539 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 8.6 mt-10 -40.12 -64.8 0.5 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.633 0.73 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.743 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.9 Cg_endo -69.72 -50.99 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.554 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -46.64 -21.9 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -89.8 -51.45 5.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 4.8 pt-20 -60.77 -48.19 82.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -56.71 -62.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.643 HD13 ' CE ' ' A' ' 21' ' ' MET . 38.7 mt -38.56 -49.62 1.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -49.16 -41.01 35.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' ALA . 19.6 m -87.99 -13.18 42.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 51' ' ' GLN . 38.8 m-80 -100.81 32.44 3.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 42.1 36.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 10.5 mmt 60.24 51.82 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -117.16 153.91 32.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.457 HD11 ' CD1' ' A' ' 28' ' ' LEU . 8.5 tp -92.74 -45.69 7.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.88 -37.09 85.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.446 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 7.4 mm100 -79.61 -41.5 26.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.409 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -66.41 -50.16 64.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 45.1 mtp -51.42 -56.01 15.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.3 t -55.96 -34.79 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.78 -33.25 75.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.743 HD22 ' HB2' ' A' ' 37' ' ' PRO . 15.2 mt -86.0 -42.81 13.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.49 -48.87 68.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.818 0.342 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.568 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.9 p-90 -61.91 -34.66 76.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.568 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 98.8 mt -64.49 -45.82 94.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.154 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.533 ' HE1' ' CB ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -36.7 -45.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' ILE . 15.3 t -54.66 -49.04 71.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' HD2' ' CZ3' ' A' ' 19' ' ' TRP . 28.2 mtp180 -37.62 -54.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.536 HD13 HD22 ' A' ' 42' ' ' LEU . 12.7 mt -64.34 -35.41 80.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' SER . 3.1 mm -65.22 -35.65 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -55.2 -46.22 75.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -55.81 -45.14 78.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.48 -58.1 4.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.0 p -48.71 -22.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.68 -32.52 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.8 mtm -71.24 -72.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.09 41.74 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -139.05 143.64 37.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.4 Cg_endo -69.81 167.59 24.07 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.707 2.272 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -77.74 -29.5 51.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.554 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.4 mp0 -42.72 -65.57 0.53 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.741 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.6 Cg_endo -69.75 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.393 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -44.33 -29.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.064 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.441 ' OE1' HD11 ' A' ' 25' ' ' ILE . 8.2 tp10 -82.98 -58.85 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -50.22 -40.29 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -68.51 -69.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.536 HD22 HD13 ' A' ' 24' ' ' LEU . 16.2 mt -34.78 -47.26 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -52.4 -45.9 66.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' ALA . 31.7 m -85.72 -13.92 46.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.453 ' OD1' ' C ' ' A' ' 51' ' ' GLN . 30.4 m-80 -95.75 34.78 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 39.84 35.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 6.2 mmt 61.13 47.4 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -112.35 152.2 28.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.6 tp -91.79 -46.95 7.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.79 -37.2 86.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.453 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 34.1 mt-30 -78.85 -39.24 35.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.47 -53.38 23.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.1 mtp -47.94 -59.31 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 t -45.92 -46.5 16.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.17 -32.1 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 37' ' ' PRO . 10.2 mt -87.88 -51.35 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 58' ' ' GLU . 13.2 mt -54.4 -57.4 11.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 57' ' ' LEU . 47.0 mm-40 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.553 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 8.4 p-90 -62.32 -34.47 76.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.553 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 98.6 mt -64.46 -46.13 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.577 ' CE ' HD13 ' A' ' 42' ' ' LEU . 3.7 tpt -38.0 -40.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' ILE . 23.0 t -58.85 -45.87 89.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' ILE . 22.2 mtp180 -42.69 -49.47 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.565 HD12 ' HE3' ' A' ' 21' ' ' MET . 85.9 mt -63.47 -30.24 71.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.627 HG22 HG23 ' A' ' 29' ' ' THR . 4.2 mm -70.6 -51.68 35.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -40.42 -47.95 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -52.51 -38.42 59.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.415 ' CD1' HD11 ' A' ' 49' ' ' LEU . 9.5 mp -80.83 -47.39 13.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.627 HG23 HG22 ' A' ' 25' ' ' ILE . 51.8 p -48.85 -19.51 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.86 -37.5 17.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -64.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.44 33.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -136.18 143.53 44.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.485 ' HG2' ' CG ' ' A' ' 37' ' ' PRO . 53.7 Cg_endo -69.77 176.16 7.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.699 2.266 . . . . 0.0 112.349 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -85.13 -30.5 23.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.544 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 9.5 mt-10 -42.31 -65.29 0.54 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.62 0.724 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.79 -50.37 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.323 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.692 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -47.17 -25.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.06 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' HA ' HD11 ' A' ' 25' ' ' ILE . 34.4 tt0 -82.37 -44.36 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.81 -53.4 33.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.92 -63.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 38' ' ' ALA . 23.1 mt -40.78 -54.92 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -44.28 -36.41 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -92.79 -17.31 24.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 53.6 m-80 -98.55 37.77 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 40.25 32.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 13.2 mmt 65.09 46.88 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' O ' HD23 ' A' ' 42' ' ' LEU . 3.4 t-20 -110.66 153.25 25.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.415 HD11 ' CD1' ' A' ' 28' ' ' LEU . 7.5 tp -93.34 -46.2 7.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.43 -37.26 86.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -76.81 -40.64 47.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.464 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -70.25 -53.16 18.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 51.3 mtp -48.4 -50.41 30.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -62.25 -35.67 79.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.92 -27.56 69.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 37' ' ' PRO . 5.7 mt -92.05 -41.61 10.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' GLU . 4.7 mt -70.2 -52.9 19.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' LEU . 3.1 pp20? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.765 0.317 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.581 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 8.0 p-90 -63.56 -35.94 82.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.581 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 83.7 mt -62.26 -43.14 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -40.91 -40.58 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.9 t -58.13 -46.19 86.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -42.22 -54.26 3.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 70.4 mt -61.52 -40.33 94.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.506 HD11 ' HA ' ' A' ' 39' ' ' GLU . 3.8 mm -58.96 -51.22 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -41.17 -57.7 2.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -43.62 -35.41 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.541 ' CD1' HD11 ' A' ' 49' ' ' LEU . 9.9 mp -82.64 -42.64 17.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.456 HG23 HG22 ' A' ' 25' ' ' ILE . 51.1 p -55.16 -25.02 29.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -83.71 -30.53 26.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.4 mtm -66.58 -65.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.11 32.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -135.71 141.06 35.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.682 0.753 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.8 Cg_endo -69.72 158.75 55.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.442 ' HB2' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -69.53 -29.81 67.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 11.2 mm-40 -41.88 -65.29 0.52 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.615 0.721 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.6 Cg_endo -69.74 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.734 2.289 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.646 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -48.12 -21.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.506 ' HA ' HD11 ' A' ' 25' ' ' ILE . 13.1 tt0 -88.88 -48.54 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 4.4 pt-20 -63.6 -46.28 86.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -58.84 -63.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 38' ' ' ALA . 11.6 mt -34.99 -59.99 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -42.9 -41.6 3.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' ALA . 67.7 m -85.34 -20.35 30.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 33.7 m-80 -93.69 35.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 41.81 44.92 2.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.418 ' SD ' ' CE ' ' A' ' 21' ' ' MET . 10.3 mmt 48.17 53.72 11.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -123.6 149.15 45.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.541 HD11 ' CD1' ' A' ' 28' ' ' LEU . 9.9 tp -85.92 -48.02 9.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.12 -37.81 84.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.44 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 36.9 mt-30 -77.58 -44.46 28.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.465 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -58.98 -51.42 70.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.093 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 18.2 mtp -50.44 -59.62 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 t -48.76 -40.26 28.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.02 -29.81 65.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -90.61 -41.54 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.5 mt -62.04 -33.4 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.962 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.412 ' OE1' ' C ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.753 0.311 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.579 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 5.9 p-90 -65.47 -36.32 83.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.579 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 70.5 mt -61.62 -44.45 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.161 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.6 tpt -40.76 -38.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 25' ' ' ILE . 25.0 p -58.75 -50.59 73.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' HD2' ' CH2' ' A' ' 19' ' ' TRP . 50.2 mtp180 -37.73 -56.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.9 mt -57.72 -32.81 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.763 HG22 HG23 ' A' ' 29' ' ' THR . 4.7 mm -68.93 -50.32 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -38.42 -56.43 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -45.09 -41.59 7.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.562 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.0 mp -76.36 -55.13 5.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.763 HG23 HG22 ' A' ' 25' ' ' ILE . 72.4 p -44.56 -31.03 1.0 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.52 -31.83 47.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 28' ' ' LEU . 81.7 mtp -66.54 -69.18 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 167.59 38.98 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -139.34 144.42 40.08 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.2 Cg_endo -69.79 162.85 40.51 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.641 2.228 . . . . 0.0 112.336 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -72.84 -30.73 64.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.551 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 17.3 mm-40 -41.41 -65.39 0.49 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.645 0.736 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.7 Cg_endo -69.74 -51.01 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.24 . . . . 0.0 112.334 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.676 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -39.75 -31.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -83.27 -60.14 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -50.14 -50.41 48.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.23 -67.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 38' ' ' ALA . 15.2 mt -40.56 -52.59 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -47.81 -42.35 25.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -86.41 -19.85 29.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.49 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 45.0 m-80 -92.86 29.09 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 43.48 41.0 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.7 mmt 61.58 51.12 4.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 9.6 m-80 -117.58 131.23 56.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.4 tp -79.78 -56.62 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -41.5 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.44 ' HB2' ' CB ' ' A' ' 48' ' ' ASN . 30.8 mm-40 -67.59 -51.52 49.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.403 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -58.62 -56.13 26.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.561 ' HA ' HD12 ' A' ' 56' ' ' LEU . 49.7 mtp -41.93 -59.64 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.1 t -53.43 -40.08 64.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.14 -27.45 69.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 53' ' ' MET . 4.6 mt -88.64 -37.05 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 58' ' ' GLU . 7.2 mt -73.84 -55.0 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 pp20? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.777 0.322 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.542 ' CE2' HG13 ' A' ' 20' ' ' ILE . 7.9 p-90 -59.27 -33.73 71.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.542 HG13 ' CE2' ' A' ' 19' ' ' TRP . 89.8 mt -64.21 -47.6 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.562 ' CE ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -34.62 -44.52 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' ILE . 6.2 t -56.04 -51.63 67.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' SER . 24.4 mtp180 -35.68 -55.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.17 -39.78 95.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.751 HG22 HG23 ' A' ' 29' ' ' THR . 3.7 mm -59.42 -48.29 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' ILE . 14.3 ttmm -37.62 -56.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -42.71 -48.95 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 31' ' ' MET . 10.9 mp -70.83 -53.45 15.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.751 HG23 HG22 ' A' ' 25' ' ' ILE . 44.5 p -42.7 -34.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.54 -29.22 33.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 28' ' ' LEU . 9.9 mtt -65.8 -69.04 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.419 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 170.3 38.86 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 2.3 m-85 -147.3 141.66 16.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.77 157.95 58.61 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.647 2.231 . . . . 0.0 112.369 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -68.4 -30.48 69.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.542 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -41.31 -65.34 0.49 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 110.895 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.653 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.6 Cg_endo -69.74 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.431 ' HA ' HD11 ' A' ' 56' ' ' LEU . . . -46.35 -22.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.471 ' HA ' HD11 ' A' ' 25' ' ' ILE . 15.9 tt0 -86.15 -55.06 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -58.16 -41.88 84.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -62.24 -61.15 2.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 48' ' ' ASN . 29.5 mt -36.74 -55.82 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.533 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 9.0 mtpm? -44.63 -44.29 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' ALA . 20.8 m -81.84 -16.25 51.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.449 ' OD1' ' C ' ' A' ' 51' ' ' GLN . 31.6 m-80 -99.99 33.73 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.6 m120 47.17 35.81 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.533 ' HE3' ' HA ' ' A' ' 43' ' ' LYS . 11.1 mmt 57.77 44.91 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.637 ' O ' HD23 ' A' ' 42' ' ' LEU . 8.5 t-20 -110.43 157.79 19.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.1 tp -93.91 -47.97 6.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -64.22 -37.52 87.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.449 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 18.1 mm-40 -78.2 -41.86 33.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.501 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -63.41 -52.25 62.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.8 mtp -50.06 -58.4 5.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 t -50.27 -29.5 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -69.46 -34.13 73.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.653 HD22 ' HB2' ' A' ' 37' ' ' PRO . 27.0 mt -85.58 -54.16 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.8 mt -48.04 -47.06 33.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.897 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -160.3 106.58 1.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.5 p -93.02 157.57 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.72 163.14 2.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 p -158.77 144.47 16.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.392 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 t -110.34 159.93 17.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.75 -161.63 8.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.24 141.79 15.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.534 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -125.23 164.66 19.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -151.98 176.44 11.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.7 p -135.8 174.27 10.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -51.19 118.64 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.13 165.68 8.81 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -37.74 144.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -92.39 90.28 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.551 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 5.0 m-20 -121.6 122.99 40.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -50.31 -29.26 9.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.09 -62.24 1.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.567 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 7.0 p-90 -58.21 -34.69 70.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.567 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 92.6 mt -64.19 -41.93 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.435 ' HE2' ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -40.42 -43.25 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' ILE . 34.5 t -55.89 -51.46 67.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' SER . 11.8 mtp180 -36.6 -56.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.506 HD13 HD22 ' A' ' 42' ' ' LEU . 24.6 mt -60.85 -36.4 79.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.586 HG22 HG23 ' A' ' 29' ' ' THR . 3.5 mm -64.21 -51.69 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' ILE . 23.9 tptp -35.04 -42.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.496 ' NE2' HD22 ' A' ' 68' ' ' LEU . 9.6 mm100 -65.86 -64.92 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.505 HD12 ' HE1' ' A' ' 31' ' ' MET . 7.5 mp -47.04 -38.15 10.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.586 HG23 HG22 ' A' ' 25' ' ' ILE . 67.6 p -69.43 -32.21 71.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -69.34 -36.38 76.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.505 ' HE1' HD12 ' A' ' 28' ' ' LEU . 17.4 mtm -63.49 -65.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.64 38.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -132.38 145.37 56.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.467 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.3 Cg_endo -69.77 154.96 67.09 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.652 2.234 . . . . 0.0 112.333 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -70.63 -21.3 62.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 3.7 mt-10 -49.2 -64.23 1.28 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.66 0.743 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.566 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.5 Cg_endo -69.76 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.364 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.883 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -48.66 -26.2 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -86.24 -31.45 21.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -79.11 -53.6 6.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -57.23 -58.71 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 38' ' ' ALA . 9.9 mt -37.1 -63.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.435 ' HG2' ' HE2' ' A' ' 21' ' ' MET . 74.8 mttt -47.83 -33.01 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 41' ' ' ALA . 4.6 t -87.62 -20.29 26.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.814 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.537 HD21 ' HB3' ' A' ' 51' ' ' GLN . 15.7 m120 -94.41 21.77 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 54.6 38.94 30.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.9 mmt 62.26 45.94 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -110.25 144.32 39.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.409 ' CD1' ' CD1' ' A' ' 28' ' ' LEU . 11.4 tp -88.28 -63.09 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -52.57 -43.08 65.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.537 ' HB3' HD21 ' A' ' 45' ' ' ASN . 63.1 mt-30 -60.93 -54.71 41.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . -59.02 -59.69 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 52' ' ' ALA . 63.9 mtp -37.4 -57.18 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.9 m -58.72 -35.63 72.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -69.98 -23.55 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.566 HD22 ' HB2' ' A' ' 37' ' ' PRO . 17.8 mt -89.71 -32.43 17.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.1 mt -80.78 -38.68 28.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' OE2' ' CE ' ' A' ' 59' ' ' LYS . 1.1 pp20? -48.05 -32.82 7.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' CE ' ' OE2' ' A' ' 58' ' ' GLU . 6.8 mmpt? -51.23 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -114.46 141.89 47.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.5 t -87.11 105.13 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -97.9 167.51 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.4 t -76.1 -51.49 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -54.74 161.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -120.57 169.6 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -62.02 173.49 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.78 142.51 3.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.496 HD22 ' NE2' ' A' ' 27' ' ' GLN . 89.2 mt -104.6 107.2 18.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.353 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.429 ' O ' HG22 ' A' ' 71' ' ' THR . . . 44.45 -141.12 3.59 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.458 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.748 HG22 ' HB2' ' A' ' 72' ' ' ASP . 9.0 p -41.94 -36.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.403 . . . . 0.0 111.146 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 69' ' ' GLY . 12.0 t 35.14 40.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.748 ' HB2' HG22 ' A' ' 70' ' ' VAL . 8.6 t0 -94.54 106.48 18.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -42.82 141.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -134.29 141.99 47.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.09 55.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.418 ' HG3' ' N ' ' A' ' 77' ' ' ALA . 7.4 tpt -123.98 151.11 44.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.418 ' N ' ' HG3' ' A' ' 76' ' ' MET . . . -170.2 111.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.53 104.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 80' ' ' SER . 16.6 tptm -161.01 153.17 20.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 79' ' ' LYS . 78.6 p -140.45 133.53 29.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -127.95 79.75 0.37 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 151.0 68.71 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.313 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.9 m -98.26 167.23 10.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -116.64 -52.21 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.819 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -129.79 147.42 51.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m -145.74 147.68 32.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.24 50.29 0.62 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 m -149.69 135.72 18.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.908 0.385 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -89.17 -46.35 8.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.98 -106.79 0.2 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.91 43.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.439 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.7 mtt -143.25 163.62 32.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.11 41.58 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -123.12 157.39 33.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -166.08 143.77 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.07 -71.8 2.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -106.3 161.37 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.681 0.277 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -99.99 159.73 14.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.596 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 47.6 m-20 -134.06 116.74 15.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.783 ' HA ' HD12 ' A' ' 20' ' ' ILE . 36.4 mt-10 -43.52 -34.86 1.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.42 -60.03 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 9.1 p-90 -60.98 -33.51 73.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 17' ' ' GLU . 87.1 mt -62.83 -48.8 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.9 tpt -34.85 -44.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 25' ' ' ILE . 8.3 t -55.15 -48.88 73.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' ILE . 24.5 mtp85 -38.0 -53.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD12 ' CE ' ' A' ' 21' ' ' MET . 37.4 mt -63.55 -32.78 74.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.514 HG22 HG23 ' A' ' 29' ' ' THR . 3.8 mm -69.11 -43.11 81.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -44.73 -55.45 5.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -47.33 -51.87 18.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.584 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.0 mp -63.0 -59.21 5.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.514 HG23 HG22 ' A' ' 25' ' ' ILE . 25.1 p -46.3 -26.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -75.99 -34.51 59.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.563 ' HE2' ' HA ' ' A' ' 28' ' ' LEU . 32.0 mtm -67.19 -66.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.39 38.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -133.79 143.54 48.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.7 Cg_endo -69.79 160.79 48.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.616 2.21 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -71.42 -29.63 65.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 7.6 mt-10 -42.16 -64.79 0.61 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.1 Cg_endo -69.77 -50.99 0.41 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.682 2.255 . . . . 0.0 112.306 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.97 -36.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -75.96 -58.05 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -52.95 -56.75 13.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -47.53 -66.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' ALA . 14.2 mt -35.53 -55.64 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -47.41 -42.28 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' ALA . 33.2 t -80.71 -27.34 36.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.646 HD21 ' HB3' ' A' ' 51' ' ' GLN . 27.6 m120 -88.55 28.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.5 m120 45.81 41.92 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 18.7 mmt 62.44 38.12 13.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -105.46 142.35 35.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.5 tp -87.31 -62.74 1.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -45.88 -42.87 13.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.646 ' HB3' HD21 ' A' ' 45' ' ' ASN . 75.2 mm-40 -66.1 -45.0 82.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.23 -59.54 4.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 70.4 mtp -42.85 -44.31 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 t -66.75 -44.91 80.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.18 -34.58 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.148 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 37' ' ' PRO . 6.4 mt -81.08 -39.66 25.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.98 -35.38 76.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -40.67 -58.93 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -56.7 -60.64 3.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -116.29 102.89 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.7 t -77.61 99.08 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -95.85 165.3 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.75 86.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -56.64 108.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -95.38 116.94 29.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.1 ptt85 -75.92 137.62 40.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.38 59.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.59 118.51 1.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.66 164.53 27.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.4 t -136.87 133.12 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.924 0.392 . . . . 0.0 111.126 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.3 p -123.61 106.18 10.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -131.18 122.28 26.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -145.19 144.63 30.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -59.02 -56.61 20.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.03 111.13 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -142.6 162.19 36.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.311 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -117.21 -47.62 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -151.12 166.01 32.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -116.29 149.63 38.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.2 t 60.92 39.41 16.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.66 -178.39 39.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -11.83 31.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.628 2.219 . . . . 0.0 112.336 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.1 p -114.88 173.65 6.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -44.56 -43.55 8.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -157.89 148.07 20.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -167.81 122.79 1.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.16 119.33 0.81 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -146.41 167.96 22.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 t -111.04 157.08 20.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.66 109.77 0.26 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.83 140.44 15.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.526 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.12 102.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -172.73 147.39 1.76 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.7 m -126.05 -50.73 1.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -64.55 86.92 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.41 168.79 36.75 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -49.53 164.72 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.712 0.291 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -67.02 105.99 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.598 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 24.2 m-20 -137.63 118.88 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -45.31 -30.71 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.98 -59.69 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 11.9 p-90 -60.96 -31.56 71.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.534 HG13 ' CE2' ' A' ' 19' ' ' TRP . 29.6 mt -67.56 -40.07 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.1 tpt -40.25 -39.94 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' ILE . 57.9 m -63.03 -45.67 91.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.58 ' HD3' ' CH2' ' A' ' 19' ' ' TRP . 12.9 mtm180 -36.59 -60.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.5 mt -57.04 -32.03 65.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.714 HG22 HG23 ' A' ' 29' ' ' THR . 2.7 mm -69.45 -48.42 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -43.23 -44.45 5.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -56.52 -38.09 71.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' MET . 10.0 mp -80.29 -55.2 5.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.714 HG23 HG22 ' A' ' 25' ' ' ILE . 69.5 p -44.97 -34.69 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -80.6 -26.66 37.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 28' ' ' LEU . 17.4 mtp -69.77 -65.45 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.01 35.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.522 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -139.05 145.26 44.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.649 0.738 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.8 Cg_endo -69.75 157.01 61.86 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -68.62 -28.23 66.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -43.18 -64.84 0.65 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.641 0.734 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.8 Cg_endo -69.75 -50.99 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.15 -29.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.043 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -84.81 -49.29 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.1 -51.33 69.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -51.3 -69.27 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' ASN . 84.1 mt -36.28 -63.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' LEU . 18.9 mmtp -37.76 -41.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.3 t -82.66 -33.11 27.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' LEU . 44.6 m-80 -85.4 34.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.416 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 0.2 OUTLIER 41.57 38.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.8 mmt 63.78 53.06 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.442 ' O ' HD23 ' A' ' 42' ' ' LEU . 39.9 m-80 -118.14 144.21 45.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.407 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.4 tp -86.65 -56.26 3.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.77 -42.66 93.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.411 ' HB2' ' CB ' ' A' ' 48' ' ' ASN . 30.7 mt-30 -68.74 -41.5 78.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.518 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -64.77 -58.61 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 29.2 mtp -38.69 -62.34 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.6 t -46.24 -35.25 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -64.93 -33.49 76.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.085 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' A' ' 37' ' ' PRO . 19.1 mt -84.09 -40.6 18.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' GLU . 8.9 mt -67.16 -55.35 14.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 16.4 pt-20 -35.15 -49.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 35.5 mtpt -35.51 -65.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -120.3 143.71 48.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.4 t -82.51 116.51 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.99 174.45 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.9 p -123.24 112.28 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -137.67 167.15 22.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -131.67 122.22 25.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HD2' ' C ' ' A' ' 66' ' ' ARG . 6.0 ppt_? -74.57 174.03 9.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.88 46.63 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.7 tp -83.26 123.33 29.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.352 . . . . 0.0 110.947 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.86 -166.71 54.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 71' ' ' THR . 41.9 t -112.37 -57.16 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 70' ' ' VAL . 66.7 p 35.23 46.12 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -67.0 125.59 26.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -102.65 82.65 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -128.83 155.93 44.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.48 60.62 8.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.445 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.55 80.87 5.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -170.12 175.93 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -167.34 149.01 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 79' ' ' LYS . 6.0 tmtm? -129.2 126.24 38.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 p -108.92 127.6 54.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 166.27 82.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 102.55 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.281 . . . . 0.0 112.327 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.8 t -62.53 162.45 10.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.5 t -125.53 -41.58 2.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -81.84 -51.83 7.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 m -62.75 134.96 57.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.98 111.77 0.26 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -152.49 162.21 41.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -156.94 158.64 37.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.62 149.86 5.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 148.84 43.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.3 mmt -119.78 123.65 44.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.82 44.81 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' SER . 29.7 m -103.62 85.11 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' THR . 67.0 m -36.13 153.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.89 145.99 16.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -84.33 102.39 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.679 0.276 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -85.56 -35.86 20.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.578 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 5.8 m-20 -146.96 165.42 29.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -88.08 -30.68 19.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.5 -52.89 62.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 6.3 p-90 -57.76 -36.55 72.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.573 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 74.8 mt -60.64 -47.69 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' ILE . 14.0 tpp -37.45 -45.22 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.5 m -52.24 -47.6 65.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -41.68 -58.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 mt -56.95 -33.94 67.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.557 HG22 HG23 ' A' ' 29' ' ' THR . 5.6 mm -67.21 -50.86 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -43.01 -58.59 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -42.65 -41.89 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.572 ' CD1' HD11 ' A' ' 49' ' ' LEU . 9.2 mp -75.41 -57.33 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.557 HG23 HG22 ' A' ' 25' ' ' ILE . 67.1 p -40.72 -37.1 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.42 -42.08 83.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' LEU . 4.8 mmt -56.33 -59.33 5.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.04 33.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -128.42 144.1 50.69 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.2 Cg_endo -69.74 155.57 65.64 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -68.98 -25.44 64.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.533 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 1.8 mm-40 -45.67 -64.95 0.74 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.618 0.723 . . . . 0.0 110.899 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.533 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.04 -28.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -82.29 -62.02 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -50.31 -54.11 23.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.22 -63.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.4 mt -42.55 -47.05 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.806 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 1.8 mmmp? -55.11 -34.9 64.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.4 m -94.36 -16.38 23.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -99.93 27.48 5.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 43.37 47.36 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.806 ' HE1' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 51.24 53.98 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -118.79 123.26 44.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.572 HD11 ' CD1' ' A' ' 28' ' ' LEU . 9.9 tp -67.03 -66.83 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -43.34 -46.93 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.98 -49.12 73.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -55.4 -59.49 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.608 ' O ' HD12 ' A' ' 57' ' ' LEU . 31.7 mtp -42.29 -61.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.5 t -57.63 -27.27 62.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -73.63 -23.94 59.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.453 HD22 ' HB2' ' A' ' 37' ' ' PRO . 39.8 mt -92.29 -50.42 5.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 53' ' ' MET . 5.4 mp -57.61 -47.48 82.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' LEU . 9.0 pt-20 -34.58 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.8 mmmm -91.45 -53.46 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.466 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -113.75 109.4 18.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 61' ' ' VAL . 14.0 p -107.31 120.7 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.148 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.5 p-10 -145.8 157.47 43.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.4 t -77.89 94.78 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.2 174.33 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -39.42 156.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -57.86 162.91 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.45 166.47 25.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.2 tp -95.37 137.94 33.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -130.88 148.09 18.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.451 HG22 ' H ' ' A' ' 72' ' ' ASP . 13.7 p -39.92 135.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.383 . . . . 0.0 111.139 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.5 t -117.06 40.15 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.451 ' H ' HG22 ' A' ' 70' ' ' VAL . 27.2 t0 -43.84 -46.19 7.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -45.2 -61.27 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -100.18 115.68 30.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.52 43.78 0.12 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.505 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -120.33 172.96 7.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -121.35 112.75 18.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.32 162.06 13.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -83.88 102.43 12.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.2 m -148.98 162.6 39.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.69 82.69 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 165.96 29.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.5 m -154.58 112.93 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.4 p -104.15 141.19 36.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.516 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 t -146.14 129.51 16.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.364 . . . . 0.0 110.872 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -140.82 111.0 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.86 141.47 6.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -116.39 -52.92 2.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.886 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -118.87 136.78 53.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.57 173.82 20.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.7 -147.91 19.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.7 mtt 55.35 42.37 30.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 tptm -85.58 115.71 23.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.4 t -119.94 41.85 3.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 m -44.24 -43.88 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.7 -127.99 1.42 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -52.43 113.59 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -116.54 91.99 3.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.546 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 33.1 m-20 -99.7 170.47 8.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -92.09 -38.57 12.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.29 -49.8 17.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.076 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.581 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.8 p-90 -63.23 -34.13 76.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.581 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 77.3 mt -65.65 -44.96 93.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.44 ' CE ' ' HB2' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -38.9 -40.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 25' ' ' ILE . 30.5 t -58.74 -48.25 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -39.92 -55.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD13 HD22 ' A' ' 42' ' ' LEU . 8.7 mt -55.56 -34.97 65.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.647 HG22 HG23 ' A' ' 29' ' ' THR . 3.2 mm -64.92 -43.9 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -50.66 -26.0 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -74.73 -37.52 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mp -80.68 -45.41 17.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.647 HG23 HG22 ' A' ' 25' ' ' ILE . 60.4 p -51.46 -28.9 14.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.22 -37.12 61.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -72.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.69 32.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -130.43 145.56 57.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.478 ' HG2' ' CG ' ' A' ' 37' ' ' PRO . 54.1 Cg_endo -69.75 174.16 9.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' CD ' ' H ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -84.7 -28.06 26.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.537 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 5.6 mt-10 -44.24 -64.69 0.75 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.688 0.756 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.75 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.98 -23.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -88.4 -52.95 4.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 6.1 pt-20 -57.75 -45.88 85.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.45 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -56.85 -58.81 6.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.44 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 33.3 mt -41.14 -54.51 2.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -46.53 -42.81 16.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 m -81.47 -26.15 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.531 HD21 ' HB3' ' A' ' 51' ' ' GLN . 29.4 m120 -90.68 30.26 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 43.99 40.21 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.7 mmt 63.3 37.76 10.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -102.29 144.53 30.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -85.56 -67.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.46 -47.24 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.531 ' HB3' HD21 ' A' ' 45' ' ' ASN . 91.0 mm-40 -63.87 -38.07 89.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.6 -60.8 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.407 ' HA ' HD12 ' A' ' 56' ' ' LEU . 44.2 mtp -44.29 -62.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 t -47.36 -48.04 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.84 -30.54 23.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 53' ' ' MET . 3.0 mt -91.44 -61.48 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mt -47.59 -29.27 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' LYS . 2.5 pp20? -50.56 -36.32 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -39.91 -25.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 58' ' ' GLU . 20.7 tttt -142.0 150.03 40.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 61' ' ' VAL . 6.0 p -73.44 101.13 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -133.52 -175.08 3.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.16 112.42 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -58.78 130.79 48.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' ARG . 16.0 mmtp -63.67 128.59 36.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -34.59 -50.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.33 152.79 5.73 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.62 170.27 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.361 . . . . 0.0 110.931 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.59 179.06 27.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.1 t -48.35 123.22 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.572 HG22 ' OD1' ' A' ' 72' ' ' ASP . 49.9 m -47.21 140.61 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.572 ' OD1' HG22 ' A' ' 71' ' ' THR . 7.1 p-10 41.64 43.7 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -64.68 -56.79 11.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -69.4 -52.72 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 145.11 -47.55 0.75 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.2 ttm 56.22 42.53 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 64.16 45.19 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.11 -45.87 15.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -107.78 -44.77 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.9 t -58.12 -48.93 78.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.22 -158.15 35.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 129.72 18.09 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.8 p -165.04 164.21 20.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.9 p 43.15 42.0 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -106.83 95.51 5.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 t -78.13 -48.45 15.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.5 49.76 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p -61.54 146.48 48.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -69.59 130.98 43.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.21 -48.42 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.541 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.24 94.1 0.26 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.485 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.1 ptp -72.05 -47.26 52.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -56.34 118.67 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.8 t -84.66 139.88 31.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.214 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.0 p -115.27 91.58 3.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.98 -176.73 39.78 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 9.2 ptpt -127.21 157.03 40.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.752 0.31 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 14' ' ' LYS . 1.2 mp0 -125.54 -33.41 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.588 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 23.7 m-20 -145.44 172.03 13.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.607 ' HA ' HD12 ' A' ' 20' ' ' ILE . 12.2 pt-20 -94.31 -32.95 13.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.15 -52.31 45.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 7.0 p-90 -54.84 -35.54 64.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 17' ' ' GLU . 86.7 mt -62.92 -48.41 88.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.608 ' HE2' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -35.63 -43.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.8 m -56.52 -47.92 78.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' ILE . 29.3 mtp180 -39.79 -57.74 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.0 mt -57.37 -42.1 81.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.481 HG22 HG23 ' A' ' 29' ' ' THR . 7.6 mm -54.26 -50.98 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 27' ' ' GLN . 42.5 tptt -41.21 -61.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' LYS . 15.2 mm100 -38.01 -38.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' MET . 11.0 mp -79.8 -52.46 7.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.481 HG23 HG22 ' A' ' 25' ' ' ILE . 60.6 p -44.62 -29.54 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -80.26 -32.25 38.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' LEU . 17.4 mtt -65.23 -66.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.71 37.55 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -140.61 142.91 30.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.73 166.18 28.44 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -75.1 -32.38 61.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.543 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.2 mt-10 -40.13 -65.1 0.47 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.694 0.759 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.71 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.496 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -45.25 -22.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.437 ' HA ' HD11 ' A' ' 25' ' ' ILE . 11.2 tt0 -90.3 -55.04 3.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 6.1 pt-20 -54.98 -43.5 73.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -62.13 -60.87 2.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.608 HD13 ' HE2' ' A' ' 21' ' ' MET . 26.6 mt -36.04 -54.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -47.0 -43.25 19.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ALA . 48.7 m -83.89 -17.8 39.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -94.91 32.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 41.4 34.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 11.3 mmt 62.52 51.88 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -118.96 148.68 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 tp -87.99 -59.84 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -53.48 -42.42 67.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -66.91 -49.34 65.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.41 -56.12 26.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 20.2 mtp -45.93 -61.39 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.8 t -50.85 -40.9 57.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.26 -34.21 70.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 mt -84.01 -40.47 18.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.3 -45.24 94.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -47.81 -59.28 3.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -53.96 -59.29 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -67.83 171.45 6.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.9 p -102.56 127.89 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -111.75 169.84 8.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.3 t -125.66 -44.31 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.12 137.91 38.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -57.41 146.07 30.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.4 ttt85 -159.22 152.11 21.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 178.42 -176.37 47.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.02 -53.72 41.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.08 -116.12 0.62 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.3 p -91.84 145.56 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.944 0.402 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.7 t -52.98 141.38 22.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -42.68 104.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -56.56 163.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -167.21 131.26 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.14 143.86 8.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.8 ptm -133.48 161.92 33.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -174.77 136.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -173.61 154.27 2.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -114.7 -46.51 2.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 t -63.4 -51.09 67.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 50.41 -179.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 132.23 22.8 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.644 2.23 . . . . 0.0 112.347 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.7 t -67.46 -44.67 78.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.5 t -127.21 123.94 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 t -93.27 114.17 26.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.923 0.392 . . . . 0.0 110.818 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 m -147.86 122.62 9.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.27 73.88 1.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -91.45 -61.44 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -49.71 -61.49 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.63 -98.01 2.39 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.71 140.92 3.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.507 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.0 mtm -96.67 170.43 9.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.357 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.69 139.65 19.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.1 m -146.6 147.55 31.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -92.61 147.3 22.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.436 ' O ' ' CE2' ' A' ' 19' ' ' TRP . . . 123.68 178.05 15.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -94.77 51.34 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.729 0.299 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.653 ' NE2' ' CD1' ' A' ' 19' ' ' TRP . 3.0 pm0 -78.5 -34.12 47.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.562 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 7.1 t70 -138.12 170.78 15.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.664 ' HA ' HD12 ' A' ' 20' ' ' ILE . 14.4 tt0 -94.17 -36.26 12.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.53 -52.3 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.653 ' CD1' ' NE2' ' A' ' 15' ' ' GLN . 6.6 p-90 -56.15 -35.96 67.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 17' ' ' GLU . 85.6 mt -62.2 -49.36 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -34.41 -44.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' ARG . 24.1 t -54.41 -49.72 69.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ILE . 22.4 mtp85 -37.58 -58.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.1 mt -57.02 -38.31 72.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.658 HG22 HG23 ' A' ' 29' ' ' THR . 11.1 mm -61.47 -52.97 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ILE . 43.9 tptt -36.54 -62.46 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -38.36 -43.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' MET . 10.0 mp -74.52 -58.59 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.658 HG23 HG22 ' A' ' 25' ' ' ILE . 58.3 p -39.33 -36.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.95 -40.49 78.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 28' ' ' LEU . 9.7 mtt -57.48 -64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.76 36.1 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -132.39 142.72 45.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.684 0.754 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.74 157.27 61.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -68.22 -29.38 68.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -42.15 -64.7 0.63 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.925 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.574 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.83 -50.96 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.298 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.445 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -42.91 -40.57 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.442 ' HA ' HD11 ' A' ' 25' ' ' ILE . 44.1 tt0 -72.3 -48.42 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -59.91 -59.28 5.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -46.33 -64.66 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 45' ' ' ASN . 16.1 mt -35.53 -64.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 32.4 mttp -38.87 -39.55 0.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 41' ' ' ALA . 16.2 m -83.16 -31.75 26.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' LEU . 59.9 m-80 -86.49 34.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 41.52 36.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.431 ' SD ' ' CE ' ' A' ' 21' ' ' MET . 12.1 mmt 65.56 46.72 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -110.71 152.66 26.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.2 tp -91.93 -61.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -54.77 -42.48 71.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -64.13 -47.57 79.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.52 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -63.79 -60.62 3.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 55.7 mtp -38.38 -64.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -48.81 -35.57 14.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -64.63 -34.71 78.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.574 HD22 ' HB2' ' A' ' 37' ' ' PRO . 16.5 mt -83.92 -38.64 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' GLU . 6.8 mt -70.1 -53.71 16.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.451 ' OE2' ' CG ' ' A' ' 59' ' ' LYS . 2.0 pp20? -34.84 -44.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' CG ' ' OE2' ' A' ' 58' ' ' GLU . 22.3 mtmm -45.09 -59.79 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -102.02 153.5 19.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.1 t -93.7 113.85 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -154.28 150.69 28.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.2 t -109.62 91.98 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -120.42 157.2 29.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -50.39 172.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 66' ' ' ARG . 9.6 mpt_? -90.74 75.35 6.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.3 179.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.841 HD22 ' N ' ' A' ' 69' ' ' GLY . 0.0 OUTLIER -73.99 159.37 32.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.934 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.841 ' N ' HD22 ' A' ' 68' ' ' LEU . . . 77.28 140.1 1.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.451 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m -70.34 170.82 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.6 t -130.35 -31.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -93.99 125.85 38.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -93.17 104.04 16.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -143.66 118.56 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.88 46.67 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.9 mmm -51.73 132.0 30.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.45 160.45 31.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.33 160.21 43.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -165.25 142.11 5.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.5 t -135.9 169.38 17.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -149.83 83.43 0.17 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -176.36 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.374 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.6 t -154.15 142.3 20.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.5 p -84.87 -46.62 11.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 p -43.42 -47.16 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -120.11 -56.4 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.29 110.06 2.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 m -54.71 170.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -119.05 -57.33 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.0 -97.57 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.68 45.21 0.99 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.479 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 tpt -96.66 119.9 36.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 10' ' ' LYS . 3.0 pptp? -91.34 160.61 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.7 p -123.39 146.1 48.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.8 m -55.87 162.69 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.54 -112.17 4.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.536 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 15' ' ' GLN . 0.7 OUTLIER -42.17 142.0 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.746 0.308 . . . . 0.0 110.908 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.457 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 17.3 mt-30 -85.26 99.6 11.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.546 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 32.1 m-20 -89.27 174.22 7.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -92.21 -34.07 14.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.64 -52.81 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.551 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 7.8 p-90 -55.93 -34.07 65.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.551 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 86.5 mt -65.1 -47.5 87.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.529 ' CE ' HD12 ' A' ' 24' ' ' LEU . 1.4 tpt -35.59 -42.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' ILE . 22.5 t -57.59 -49.71 75.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' ILE . 31.0 mtp180 -37.17 -54.35 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.529 HD12 ' CE ' ' A' ' 21' ' ' MET . 26.1 mt -61.58 -39.54 91.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.563 HG22 HG23 ' A' ' 29' ' ' THR . 9.5 mm -57.22 -48.05 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -42.11 -63.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -38.26 -46.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.18 -56.22 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.563 HG23 HG22 ' A' ' 25' ' ' ILE . 70.5 p -51.01 -18.1 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.8 -29.14 24.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 13.8 mtt -72.55 -56.27 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.79 38.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -134.18 143.5 47.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.671 0.748 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 54.1 Cg_endo -69.73 156.67 62.8 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.753 2.302 . . . . 0.0 112.324 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -69.32 -26.66 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.6 mm-40 -44.6 -65.17 0.66 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.657 0.741 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 54.0 Cg_endo -69.74 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.472 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -41.99 -39.07 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HA ' HD11 ' A' ' 25' ' ' ILE . 12.9 tt0 -73.45 -49.63 25.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.07 -58.76 7.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -43.99 -65.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.515 HD13 ' CE ' ' A' ' 21' ' ' MET . 19.3 mt -35.3 -59.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -43.67 -41.13 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' ALA . 20.3 m -81.29 -27.95 34.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -90.42 30.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 45.52 38.39 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.476 ' CE ' ' SD ' ' A' ' 21' ' ' MET . 11.4 mmt 64.23 40.37 6.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -104.95 142.01 35.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.9 tp -82.96 -66.32 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.4 -45.56 17.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -65.44 -47.23 76.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.14 -58.73 7.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.8 mtp -43.53 -59.68 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 t -52.29 -47.21 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.55 -31.59 36.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.5 HD22 ' HB2' ' A' ' 37' ' ' PRO . 17.1 mt -86.16 -57.33 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.3 mt -46.66 -43.36 17.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.81 -59.2 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -51.9 -50.3 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -102.89 105.59 15.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 61' ' ' VAL . 7.8 p -75.07 117.17 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -139.36 164.64 29.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.6 t -87.72 103.46 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -164.37 148.18 9.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.6 113.73 25.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -58.36 142.36 48.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.84 107.68 1.8 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.4 tp -71.35 97.31 1.57 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.04 56.14 2.24 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 m -79.27 114.01 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 111.152 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.3 p -147.07 173.43 12.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.43 139.92 40.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -156.66 159.38 38.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' HIS . 2.9 p-10 38.18 40.2 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.78 142.49 14.69 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.9 tmm? -84.99 115.81 23.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.74 0.305 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.74 107.86 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.84 119.58 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.43 ' HE2' ' C ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -40.92 97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.2 p -151.08 127.4 10.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 174.17 83.36 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 171.52 14.26 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.746 2.297 . . . . 0.0 112.302 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -146.84 119.52 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.5 p -89.7 171.03 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 t -67.17 99.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -92.84 126.69 38.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.36 -113.67 5.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -139.31 142.75 37.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -71.05 -53.82 13.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.69 155.07 8.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.62 -140.44 16.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 33.9 ttm 67.55 41.9 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -83.17 99.8 10.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.6 m -47.49 144.57 2.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.0 p -106.99 -53.01 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.74 -172.58 36.33 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -152.22 142.64 22.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.717 0.294 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -131.9 -33.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.593 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 5.8 m-20 -151.94 172.28 16.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -93.72 -32.64 13.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.34 -47.41 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.593 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 6.2 p-90 -62.27 -35.86 80.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.581 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 90.4 mt -62.39 -41.02 90.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.629 ' HE1' ' HB2' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -42.54 -39.6 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' ILE . 3.4 p -58.09 -51.54 69.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' SER . 18.7 mtp85 -37.53 -52.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.02 -40.33 97.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.519 HD11 ' HA ' ' A' ' 39' ' ' GLU . 4.6 mm -59.71 -50.47 79.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -42.88 -58.99 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -41.22 -38.03 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.586 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.7 mp -79.97 -52.99 7.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.482 HG23 HG22 ' A' ' 25' ' ' ILE . 67.9 p -43.16 -37.58 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -71.51 -34.78 70.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' LEU . 19.8 mtt -62.35 -65.39 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.451 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 161.02 41.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 8.9 m-85 -141.81 143.7 29.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.675 0.75 . . . . 0.0 110.844 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.8 Cg_endo -69.81 159.06 54.76 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -70.27 -28.55 65.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.529 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 3.4 mm-40 -42.87 -64.47 0.72 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.699 0.762 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.77 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.808 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -47.67 -20.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.519 ' HA ' HD11 ' A' ' 25' ' ' ILE . 11.1 tp10 -87.74 -56.56 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 4.6 pt-20 -59.73 -47.59 85.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.489 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -50.63 -64.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.808 HD12 ' O ' ' A' ' 38' ' ' ALA . 21.3 mt -43.19 -65.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HG2' ' CE ' ' A' ' 21' ' ' MET . 2.4 mmmp? -42.04 -25.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' LEU . 1.3 t -95.14 -29.82 14.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' LEU . 49.6 m-80 -92.05 25.75 2.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 m120 57.54 40.96 26.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.419 ' N ' ' SD ' ' A' ' 47' ' ' MET . 8.7 mmm 60.11 44.4 13.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.775 ' O ' HD23 ' A' ' 42' ' ' LEU . 3.0 m-20 -107.13 148.74 28.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.586 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.2 tp -92.86 -59.45 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -55.51 -44.09 76.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -64.71 -47.96 76.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' MET . . . -61.92 -59.52 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.577 ' HA ' HD12 ' A' ' 56' ' ' LEU . 42.9 mtp -35.07 -59.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.9 t -50.76 -52.85 36.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.49 -16.79 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 53' ' ' MET . 21.6 mt -92.43 -47.21 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 53' ' ' MET . 5.3 mp -66.1 -38.59 88.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' LEU . 8.9 mt-10 -37.88 -46.56 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -40.03 -59.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -140.03 149.4 43.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.7 t -93.12 101.71 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.27 169.62 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.3 p -104.77 108.78 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.13 134.17 52.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -44.74 146.65 0.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -141.04 150.51 43.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.77 73.23 0.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.29 -61.81 2.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.75 136.09 6.37 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 70' ' ' VAL . 34.4 m -85.44 123.32 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 111.107 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.7 m -76.95 124.52 27.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -145.01 167.84 21.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -114.15 155.07 26.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -131.97 -55.72 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.59 93.82 1.83 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -165.79 148.25 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.48 -56.18 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 41.85 38.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -72.53 80.05 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.6 t -116.77 142.48 46.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 163.64 75.71 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.531 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 119.63 6.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.0 p -110.44 96.75 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 m -110.58 157.85 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -106.75 127.96 53.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.858 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -151.84 156.19 39.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.57 -115.93 0.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.431 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -132.25 168.49 17.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 m -95.44 127.2 41.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.59 116.7 0.55 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 168.82 58.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.1 ttp -78.37 112.21 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -84.93 143.15 29.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.4 t -98.44 134.53 41.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.191 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.2 t -76.75 137.65 39.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.01 -41.33 14.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -140.65 143.46 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -89.57 100.79 13.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.546 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 5.7 m-20 -129.95 116.73 19.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.72 -32.18 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.22 -59.88 3.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.546 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 8.2 p-90 -61.28 -33.99 74.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.514 HG13 ' CE2' ' A' ' 19' ' ' TRP . 67.3 mt -63.5 -45.89 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' ILE . 18.9 tpp -37.08 -43.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' ARG . 4.4 m -56.84 -49.9 74.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' SER . 36.3 mtp180 -36.72 -59.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.8 mt -58.73 -38.8 79.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.561 HG22 HG23 ' A' ' 29' ' ' THR . 5.0 mm -60.5 -52.27 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -41.03 -60.8 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -40.47 -40.96 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.5 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 10.0 mp -76.76 -51.97 10.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.561 HG23 HG22 ' A' ' 25' ' ' ILE . 58.9 p -47.93 -24.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -84.66 -31.23 24.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.5 ' HE2' ' HA ' ' A' ' 28' ' ' LEU . 62.1 mtm -66.75 -64.92 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.66 39.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -137.84 144.02 42.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.711 0.767 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 54.5 Cg_endo -69.74 157.34 60.76 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.0 ptt-85 -70.07 -26.47 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.4 mt-10 -44.79 -65.11 0.67 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.683 0.754 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.4 Cg_endo -69.8 -50.83 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.91 -25.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -85.13 -61.08 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 7.3 pt-20 -51.09 -46.69 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -53.6 -68.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 45' ' ' ASN . 94.0 mt -39.07 -56.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' HD2' ' HE1' ' A' ' 47' ' ' MET . 8.8 mmmm -42.24 -38.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -94.04 -19.89 20.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' LEU . 29.8 m120 -96.55 24.88 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.0 m120 44.14 49.71 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.493 ' N ' ' SD ' ' A' ' 47' ' ' MET . 0.0 OUTLIER 48.57 54.54 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 37.3 m-20 -115.07 130.53 56.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 tp -77.43 -56.27 4.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -55.6 -41.4 73.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.424 ' HB2' ' CB ' ' A' ' 48' ' ' ASN . 39.2 mm-40 -73.43 -47.3 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 48' ' ' ASN . . . -56.22 -52.22 65.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.6 mtp -47.77 -59.71 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 t -51.24 -43.44 61.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.48 -31.4 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 mt -88.26 -42.29 12.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.663 ' HA ' HG12 ' A' ' 61' ' ' VAL . 7.7 mt -60.65 -31.07 70.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.73 -29.75 4.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 60' ' ' LYS . 19.5 mmtm -84.66 34.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 36.59 39.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 57' ' ' LEU . 7.7 p -72.02 116.38 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -55.83 156.24 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -144.51 120.61 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -49.02 176.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -78.09 -37.13 47.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -80.34 134.95 36.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -101.45 -135.89 9.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 68' ' ' LEU . 4.6 pp -106.85 146.52 30.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.851 0.358 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.77 179.36 23.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -98.47 103.9 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.961 0.41 . . . . 0.0 111.12 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 72' ' ' ASP . 25.4 m -147.99 154.87 40.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' N ' HG22 ' A' ' 71' ' ' THR . 0.9 OUTLIER -90.31 125.76 35.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -60.16 -59.1 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -78.53 81.53 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.66 55.13 3.76 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 28.5 mtt -151.18 105.35 3.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.53 82.25 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.97 113.61 19.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.072 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.41 169.53 10.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 p -158.24 120.56 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 52.0 67.9 1.81 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 0.74 5.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.8 t 66.79 37.63 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.2 m -110.33 114.22 27.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 m -154.73 126.55 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 m -108.82 165.15 11.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.51 128.47 2.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 p -166.58 172.63 10.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.825 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -142.49 158.23 43.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.12 139.84 3.81 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.2 -158.89 16.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.8 ttt -82.39 43.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -48.47 -60.28 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.5 m -126.72 124.83 40.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.6 p -86.09 151.61 23.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.16 -71.32 0.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -65.9 84.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.715 0.293 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -40.79 149.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.441 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 52.5 m-20 -131.33 173.51 10.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -91.3 -33.19 15.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.08 -53.43 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.535 ' CE2' HG13 ' A' ' 20' ' ' ILE . 7.5 p-90 -59.57 -34.43 72.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.535 HG13 ' CE2' ' A' ' 19' ' ' TRP . 74.4 mt -63.72 -48.27 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.132 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' ILE . 9.0 tpp -34.74 -44.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' ILE . 3.7 m -54.89 -50.89 67.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ILE . 17.8 mtp85 -38.2 -56.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.7 mt -58.24 -37.46 74.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.541 HG22 ' CG2' ' A' ' 29' ' ' THR . 4.2 mm -64.95 -50.97 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.8 tttt -43.18 -51.67 5.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -48.74 -35.17 13.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.505 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.1 mp -83.52 -50.5 8.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.541 ' CG2' HG22 ' A' ' 25' ' ' ILE . 24.3 p -48.0 -24.49 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -84.12 -34.0 24.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 15.0 mtt -63.95 -64.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 161.53 40.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 10.8 m-85 -140.66 143.82 33.82 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 54.0 Cg_endo -69.74 156.86 62.32 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.679 2.253 . . . . 0.0 112.398 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -68.99 -27.67 65.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.543 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 1.9 mm-40 -43.75 -65.34 0.6 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.645 0.736 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.552 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.9 Cg_endo -69.75 -50.94 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.7 -25.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' PRO . 12.2 tt0 -84.23 -62.48 1.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 5.8 pt-20 -50.26 -43.86 53.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -57.23 -68.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' ALA . 72.3 mt -34.87 -49.91 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.761 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 19.0 mmtp -46.37 -46.39 18.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ALA . 23.3 t -87.03 -20.29 27.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.458 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 46.9 m-80 -91.82 16.03 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 63.1 t30 53.43 47.35 24.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.761 ' HE1' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 48.43 50.31 16.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -118.25 148.43 42.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 28' ' ' LEU . 7.9 tp -86.75 -47.28 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.7 -37.62 84.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.421 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 17.7 mm100 -79.9 -40.07 29.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -65.55 -51.39 60.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.623 ' O ' HD12 ' A' ' 57' ' ' LEU . 48.8 mtp -49.82 -62.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 t -52.31 -36.43 53.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.91 -28.36 69.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.552 HD22 ' HB2' ' A' ' 37' ' ' PRO . 60.4 mt -92.31 -51.23 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 53' ' ' MET . 5.4 mp -56.49 -46.69 80.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 pp20? -34.83 -39.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -42.51 -49.32 5.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -110.04 176.33 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 61' ' ' VAL . 6.0 p -75.28 117.47 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -49.42 133.26 20.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.475 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.1 p -129.27 121.4 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 63' ' ' VAL . 1.0 OUTLIER -35.7 117.43 0.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.6 177.32 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -86.39 86.1 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -47.99 146.51 4.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.788 ' H ' HD12 ' A' ' 68' ' ' LEU . 5.0 mp -49.36 101.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.57 118.38 4.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.517 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.557 HG12 HG23 ' A' ' 71' ' ' THR . 88.5 t -79.21 -49.67 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 111.106 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.557 HG23 HG12 ' A' ' 70' ' ' VAL . 33.1 p -144.66 145.84 31.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -98.28 -48.88 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -148.71 116.63 6.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -94.6 92.9 7.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.27 61.04 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.0 tpt -119.14 98.43 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.736 0.303 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -172.47 134.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.05 154.6 47.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -148.69 155.81 41.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 m -164.41 117.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -176.14 146.31 8.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.543 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 175.39 8.19 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.6 m -91.69 170.08 10.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.1 m -129.8 170.28 14.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -141.47 145.48 35.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.4 p -171.06 127.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.18 84.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -111.66 109.24 19.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 p -145.43 169.31 18.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.53 -99.4 0.72 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.56 131.0 6.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -60.12 125.25 22.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -63.18 108.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 t -47.73 -31.65 4.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t -106.91 154.93 20.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.65 134.46 2.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -66.74 146.51 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.677 0.275 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -70.11 117.21 11.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.423 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 14.8 t70 -101.12 171.37 7.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' HA ' HD12 ' A' ' 20' ' ' ILE . 67.0 mm-40 -91.47 -34.64 14.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.53 -53.12 32.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.57 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 8.5 p-90 -61.32 -35.25 76.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.57 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 91.2 mt -63.28 -47.59 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.476 ' CE ' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -35.6 -43.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.84 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.7 m -56.99 -49.72 74.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.794 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' ILE . 13.1 mtp180 -39.61 -57.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.7 mt -57.67 -39.17 76.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.633 HG22 HG23 ' A' ' 29' ' ' THR . 3.5 mm -61.27 -56.58 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -35.51 -59.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -41.34 -43.67 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.423 ' CD1' HD11 ' A' ' 49' ' ' LEU . 8.5 mp -74.29 -51.84 14.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.633 HG23 HG22 ' A' ' 25' ' ' ILE . 39.6 p -51.58 -21.94 2.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -84.91 -25.44 27.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.0 mtm -73.71 -69.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.13 30.16 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -131.59 145.99 59.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.485 ' HG2' ' CG ' ' A' ' 37' ' ' PRO . 53.4 Cg_endo -69.77 178.53 4.48 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.306 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -25.78 21.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.542 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 5.8 mt-10 -46.73 -64.97 0.78 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.83 -50.87 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.344 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.84 -24.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -87.6 -56.97 3.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -53.24 -40.49 64.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -60.36 -71.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 41' ' ' ALA . 58.0 mt -34.71 -49.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 32.5 mttp -43.76 -47.72 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' ALA . 6.1 t -89.42 -21.18 23.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -90.39 27.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.442 ' HB2' ' ND2' ' A' ' 48' ' ' ASN . 3.9 m120 42.33 45.73 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.499 ' N ' ' SD ' ' A' ' 47' ' ' MET . 0.0 OUTLIER 50.66 53.56 12.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.442 ' ND2' ' HB2' ' A' ' 46' ' ' ASN . 40.1 m-80 -112.83 132.81 55.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.423 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.3 tp -76.2 -62.21 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -50.04 -45.04 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -64.79 -51.51 61.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.8 -57.01 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.3 mtp -44.47 -53.99 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.8 t -58.95 -35.7 73.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.3 -36.3 83.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 37' ' ' PRO . 8.2 mt -82.11 -39.21 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mt -64.73 -47.83 76.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -39.65 -53.83 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -38.58 -48.2 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -110.44 109.37 19.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.9 t -81.74 115.27 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -120.82 177.37 5.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.8 t -100.06 -59.53 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.38 167.61 12.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -160.82 163.86 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -116.48 -53.67 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.97 151.55 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.0 mt -47.6 170.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.937 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.25 62.87 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.524 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.8 p -139.56 143.94 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 111.187 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.4 m -84.21 122.32 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -145.68 137.32 25.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -135.19 122.33 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -148.68 176.71 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -123.72 124.87 5.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.2 tpt -86.39 -56.22 3.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.736 0.303 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.28 42.57 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.46 97.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -144.91 171.21 14.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.2 m -117.18 166.29 12.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -111.25 83.18 0.32 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -174.8 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.682 2.254 . . . . 0.0 112.326 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -151.57 145.61 25.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.9 p -125.64 174.42 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 p -104.57 159.88 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.824 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -62.01 -58.27 8.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.85 -93.45 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.7 p -174.44 140.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 110.897 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -145.15 158.42 43.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.82 72.66 2.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.37 97.67 1.08 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.8 ttt -172.36 151.7 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? 60.63 41.74 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' SER . 69.6 p -102.32 85.82 2.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' THR . 75.2 m -38.04 154.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.93 -64.59 2.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -70.94 172.97 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.712 0.291 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -96.53 87.76 4.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.588 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 20.0 m-20 -91.22 169.01 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -93.8 -24.77 17.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.47 -44.57 96.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 6.8 p-90 -63.32 -34.78 78.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.576 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 85.1 mt -64.26 -46.51 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.45 ' CE ' ' HE1' ' A' ' 47' ' ' MET . 0.2 OUTLIER -38.48 -40.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -59.0 -44.35 91.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' ILE . 29.6 mtp180 -44.72 -49.03 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.8 mt -65.02 -30.05 71.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.495 HG22 HG23 ' A' ' 29' ' ' THR . 7.5 mm -67.06 -47.85 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -41.3 -61.31 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -41.17 -52.08 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mp -62.98 -50.41 70.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.495 HG23 HG22 ' A' ' 25' ' ' ILE . 62.0 p -56.42 -20.64 20.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.08 -15.15 34.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 71.1 mtp -85.5 -64.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 165.59 39.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.534 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 14.4 m-85 -141.19 143.03 29.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.627 0.727 . . . . 0.0 110.94 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.3 Cg_endo -69.77 163.15 39.36 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.4 ptt-85 -71.95 -32.75 67.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.55 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.1 mt-10 -39.79 -65.53 0.42 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.7 Cg_endo -69.8 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.329 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.41 -40.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -78.52 -56.08 4.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.62 -59.03 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -51.92 -63.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' ALA . 18.2 mt -35.02 -60.07 0.47 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' CG ' ' HE1' ' A' ' 21' ' ' MET . 21.2 mtpt -43.8 -48.06 8.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.9 m -77.82 -20.89 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -94.35 30.97 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 m120 42.2 36.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.45 ' HE1' ' CE ' ' A' ' 21' ' ' MET . 11.3 mmt 65.54 43.48 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -106.43 137.08 45.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -82.67 -63.86 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -48.55 -45.6 37.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -66.23 -42.76 88.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.65 -59.57 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 58.3 mtp -43.12 -59.72 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.8 t -53.84 -38.37 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.76 -23.41 67.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' A' ' 37' ' ' PRO . 52.6 mt -91.75 -53.39 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 58' ' ' GLU . 7.8 mt -55.73 -53.33 57.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.5 pp20? -34.86 -37.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.458 ' CB ' ' HE3' ' A' ' 60' ' ' LYS . 1.0 OUTLIER -54.83 -50.39 68.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.458 ' HE3' ' CB ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -90.96 130.43 36.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.877 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 61' ' ' VAL . 8.2 p -102.27 115.95 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -133.95 173.48 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.1 t -85.41 -47.79 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -93.12 142.08 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -95.9 149.95 20.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -96.0 170.14 9.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.07 167.35 31.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.0 mt -60.57 155.67 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.2 87.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.1 t -82.42 146.96 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.382 . . . . 0.0 111.117 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.6 t -163.12 163.3 25.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -122.05 -58.3 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -149.72 120.96 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -74.97 85.83 2.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.79 -158.27 37.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.444 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.7 ttt -136.85 139.0 41.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.82 86.91 4.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -44.3 -46.07 9.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 tptm 54.59 41.7 31.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 t -99.77 92.61 5.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.21 82.12 0.35 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 142.4 47.7 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.346 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.1 m -134.13 170.11 16.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.9 m -58.88 -46.33 88.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.6 p -144.05 133.91 23.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 m -97.54 175.25 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.61 158.24 27.91 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -153.32 159.66 42.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -139.26 174.99 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.96 -177.37 40.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.77 157.13 33.79 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -165.08 161.76 19.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -147.48 174.86 11.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -125.03 141.65 51.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 m -106.28 42.0 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.48 127.38 0.72 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.529 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -143.4 178.68 7.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.54 178.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.529 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 63.0 m-20 -91.64 166.89 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HA ' HD12 ' A' ' 20' ' ' ILE . 9.5 mt-10 -94.03 -25.36 17.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.2 -55.15 38.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.574 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 5.9 p-90 -49.81 -36.84 27.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.574 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 97.4 mt -60.31 -45.34 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.473 ' SD ' HD13 ' A' ' 42' ' ' LEU . 1.4 tpp -38.86 -42.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 23' ' ' ARG . 3.7 p -54.61 -51.76 64.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' SER . 35.1 mtp180 -36.32 -57.68 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.452 HD13 HD22 ' A' ' 42' ' ' LEU . 22.0 mt -57.62 -40.52 79.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.545 HG22 HG23 ' A' ' 29' ' ' THR . 13.1 mm -56.19 -54.79 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -36.24 -61.58 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.874 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -41.99 -54.34 3.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 9.9 mp -61.0 -54.67 42.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.545 HG23 HG22 ' A' ' 25' ' ' ILE . 82.3 p -51.81 -27.97 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.3 -25.9 46.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.465 ' HE2' ' HA ' ' A' ' 28' ' ' LEU . 39.1 mtm -74.68 -59.88 2.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.27 39.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -138.06 143.57 40.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.677 0.751 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.468 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.76 160.04 51.19 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.667 2.245 . . . . 0.0 112.387 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 ptt85 -71.07 -29.29 65.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.544 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 5.5 mm-40 -42.45 -65.41 0.54 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.636 0.731 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.8 Cg_endo -69.73 -50.98 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.789 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -41.47 -35.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.078 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -76.89 -56.92 4.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -54.81 -56.01 24.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -47.23 -68.05 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 38' ' ' ALA . 8.8 mt -35.03 -65.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -41.07 -38.62 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 41' ' ' ALA . 29.8 m -81.13 -31.97 33.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.808 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' LEU . 60.8 m-80 -85.32 26.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 49.44 46.04 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 2.4 mmt 57.13 46.31 19.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -112.8 139.04 48.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.3 tp -86.85 -61.32 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -50.43 -44.13 55.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -62.6 -47.64 82.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' MET . . . -61.58 -60.7 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.45 ' HE1' ' HB3' ' A' ' 68' ' ' LEU . 67.3 mtp -35.58 -47.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.9 p -67.69 -45.11 76.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -57.44 -34.46 68.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.403 HD22 ' HB2' ' A' ' 37' ' ' PRO . 4.8 mt -83.23 -46.07 13.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' GLU . 10.7 mt -58.15 -46.28 85.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' LEU . 3.1 mm-40 -38.45 -60.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -40.27 -52.19 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -102.81 102.26 12.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.952 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.9 t -85.2 107.71 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.18 130.91 43.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 p -41.66 -35.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -120.5 128.48 53.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -75.17 103.66 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -121.11 98.43 5.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -139.82 -120.13 1.72 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.45 ' HB3' ' HE1' ' A' ' 53' ' ' MET . 21.5 tp -151.15 147.92 27.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.32 114.96 3.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 70' ' ' VAL . 13.1 p -38.38 129.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.91 0.386 . . . . 0.0 111.11 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 80.5 p -92.59 117.0 29.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -78.48 167.57 21.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -170.36 128.34 0.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -139.39 163.15 33.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.05 -57.79 0.26 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.0 mmt -63.34 128.03 33.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.49 159.9 16.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -158.18 148.34 20.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt 44.46 41.07 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.1 p -109.54 105.7 15.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -41.03 146.3 0.41 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.79 33.9 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 m -118.42 91.82 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.3 t -141.79 162.89 34.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.525 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -118.78 91.68 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.379 . . . . 0.0 110.843 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -118.15 162.9 17.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.48 -141.88 3.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.532 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -52.61 146.49 10.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.817 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.7 p -131.84 127.75 37.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.74 49.52 0.85 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.07 60.81 4.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 63.0 mmm -47.91 -58.14 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -98.23 169.74 9.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.2 m -92.17 141.59 28.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.3 t -110.66 140.83 44.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.814 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.79 -83.18 0.13 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 mttp -42.36 137.38 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -102.97 118.29 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.559 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 28.2 t0 -126.53 169.71 12.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' HA ' HD12 ' A' ' 20' ' ' ILE . 4.6 mp0 -91.73 -25.49 19.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.31 -51.87 68.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.085 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.559 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 9.2 p-90 -57.15 -32.02 65.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.536 HG13 ' CE2' ' A' ' 19' ' ' TRP . 96.4 mt -65.89 -39.31 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.643 ' CE ' HD13 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -43.23 -40.86 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ILE . 5.3 t -58.44 -48.18 81.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -39.18 -56.04 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.16 -35.82 76.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.591 HG22 ' CG2' ' A' ' 29' ' ' THR . 4.4 mm -65.2 -54.23 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ILE . 63.1 tttt -37.64 -55.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -45.03 -42.03 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.2 mp -76.3 -46.65 26.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.591 ' CG2' HG22 ' A' ' 25' ' ' ILE . 19.9 p -53.49 -27.99 28.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -84.25 -22.65 30.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 37.9 mtm -74.18 -69.41 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.8 34.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -140.31 143.16 32.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.3 Cg_endo -69.76 168.14 22.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -76.89 -32.46 57.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.539 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 8.6 mt-10 -40.12 -64.8 0.5 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.633 0.73 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.743 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.9 Cg_endo -69.72 -50.99 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.554 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -46.64 -21.9 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -89.8 -51.45 5.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 4.8 pt-20 -60.77 -48.19 82.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -56.71 -62.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.643 HD13 ' CE ' ' A' ' 21' ' ' MET . 38.7 mt -38.56 -49.62 1.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -49.16 -41.01 35.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' ALA . 19.6 m -87.99 -13.18 42.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 51' ' ' GLN . 38.8 m-80 -100.81 32.44 3.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 42.1 36.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 10.5 mmt 60.24 51.82 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -117.16 153.91 32.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.457 HD11 ' CD1' ' A' ' 28' ' ' LEU . 8.5 tp -92.74 -45.69 7.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.88 -37.09 85.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.446 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 7.4 mm100 -79.61 -41.5 26.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.409 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -66.41 -50.16 64.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 45.1 mtp -51.42 -56.01 15.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.3 t -55.96 -34.79 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.78 -33.25 75.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.743 HD22 ' HB2' ' A' ' 37' ' ' PRO . 15.2 mt -86.0 -42.81 13.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.49 -48.87 68.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -44.93 -35.15 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -97.14 39.52 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -173.55 131.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 61' ' ' VAL . 13.5 p -104.28 116.21 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -161.97 122.82 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.6 t -79.94 98.94 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -148.05 112.76 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -62.8 135.27 57.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -81.39 135.15 35.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -115.85 51.34 0.73 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.01 91.71 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.12 77.54 0.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.462 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.568 HG22 ' OD1' ' A' ' 72' ' ' ASP . 11.4 p -97.2 134.68 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.926 0.393 . . . . 0.0 111.126 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.5 t -81.58 80.62 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.568 ' OD1' HG22 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -132.65 131.18 41.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -73.14 131.67 42.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -80.17 -45.08 18.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.51 71.56 0.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 ttt -144.38 150.39 37.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.744 0.307 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -130.15 41.6 3.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.12 126.43 20.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -155.46 131.78 10.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.9 t -88.37 -60.66 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 133.55 -173.36 21.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.16 27.93 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.719 2.279 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.2 m -123.74 105.19 9.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.1 t -74.54 84.51 2.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -116.74 148.35 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 110.872 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -134.5 172.19 13.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.93 56.84 0.66 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -118.61 122.91 43.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -108.25 108.12 19.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.38 159.97 13.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.03 -153.97 6.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.02 74.97 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.472 ' HE2' ' N ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -82.51 131.63 35.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 m -123.77 99.5 6.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.1 p -133.05 144.16 49.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.98 41.68 3.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -118.53 167.78 11.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.71 0.291 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -82.99 84.27 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.569 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 52.7 m-20 -109.76 172.95 6.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HA ' HD12 ' A' ' 20' ' ' ILE . 21.6 tt0 -93.25 -37.69 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.95 -49.29 20.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 6.9 p-90 -61.91 -34.66 76.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.568 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 98.8 mt -64.49 -45.82 94.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.154 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.533 ' HE1' ' CB ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -36.7 -45.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' ILE . 15.3 t -54.66 -49.04 71.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' HD2' ' CZ3' ' A' ' 19' ' ' TRP . 28.2 mtp180 -37.62 -54.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.536 HD13 HD22 ' A' ' 42' ' ' LEU . 12.7 mt -64.34 -35.41 80.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' SER . 3.1 mm -65.22 -35.65 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -55.2 -46.22 75.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -55.81 -45.14 78.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.48 -58.1 4.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.0 p -48.71 -22.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.68 -32.52 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.8 mtm -71.24 -72.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.09 41.74 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -139.05 143.64 37.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.4 Cg_endo -69.81 167.59 24.07 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.707 2.272 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -77.74 -29.5 51.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.554 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.4 mp0 -42.72 -65.57 0.53 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.741 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.6 Cg_endo -69.75 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.393 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -44.33 -29.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.064 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' OE1' HD11 ' A' ' 25' ' ' ILE . 8.2 tp10 -82.98 -58.85 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -50.22 -40.29 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -68.51 -69.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.536 HD22 HD13 ' A' ' 24' ' ' LEU . 16.2 mt -34.78 -47.26 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -52.4 -45.9 66.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' ALA . 31.7 m -85.72 -13.92 46.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.453 ' OD1' ' C ' ' A' ' 51' ' ' GLN . 30.4 m-80 -95.75 34.78 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 39.84 35.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 6.2 mmt 61.13 47.4 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -112.35 152.2 28.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.6 tp -91.79 -46.95 7.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.79 -37.2 86.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.453 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 34.1 mt-30 -78.85 -39.24 35.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.47 -53.38 23.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.1 mtp -47.94 -59.31 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 t -45.92 -46.5 16.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.17 -32.1 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 37' ' ' PRO . 10.2 mt -87.88 -51.35 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 58' ' ' GLU . 13.2 mt -54.4 -57.4 11.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 57' ' ' LEU . 47.0 mm-40 -37.72 -53.75 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -59.55 -57.77 11.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -84.67 105.86 15.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.4 t -78.31 105.34 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -139.52 173.55 11.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.4 85.85 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -108.02 164.19 12.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -52.98 171.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.2 ttm-85 -61.53 95.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.0 -119.26 12.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.3 tp -126.0 -59.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.839 0.352 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 137.53 70.44 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.1 m -87.2 40.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.6 p -139.24 148.21 42.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -131.62 94.63 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -156.57 134.75 11.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -111.72 163.36 14.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.54 125.83 6.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.2 ttt -152.97 141.35 20.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.752 0.311 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.85 144.8 27.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -174.54 150.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -126.47 176.53 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.6 p -91.49 -60.5 1.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.6 150.45 24.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -173.99 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.384 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 t -129.21 177.28 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.0 p -136.82 177.82 7.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.4 p -169.5 168.59 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.8 p -68.73 122.73 19.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.48 158.39 45.35 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.453 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -94.19 96.62 9.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.817 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.4 p -66.44 171.99 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.35 -93.05 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.13 -72.18 2.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.2 mmt -119.95 117.92 29.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 110.817 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -78.44 -60.7 2.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 11' ' ' THR . 10.1 t -157.03 122.17 4.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 p -63.01 -61.28 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.62 82.87 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -151.28 118.17 5.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.71 0.291 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -68.48 109.69 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.531 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 37.8 m-20 -134.85 173.74 11.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 20' ' ' ILE . 8.2 pt-20 -93.73 -37.25 11.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.18 -49.58 32.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.148 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.553 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 8.4 p-90 -62.32 -34.47 76.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.553 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 98.6 mt -64.46 -46.13 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.577 ' CE ' HD13 ' A' ' 42' ' ' LEU . 3.7 tpt -38.0 -40.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' ILE . 23.0 t -58.85 -45.87 89.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' ILE . 22.2 mtp180 -42.69 -49.47 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD12 ' HE3' ' A' ' 21' ' ' MET . 85.9 mt -63.47 -30.24 71.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.627 HG22 HG23 ' A' ' 29' ' ' THR . 4.2 mm -70.6 -51.68 35.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -40.42 -47.95 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -52.51 -38.42 59.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.415 ' CD1' HD11 ' A' ' 49' ' ' LEU . 9.5 mp -80.83 -47.39 13.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.627 HG23 HG22 ' A' ' 25' ' ' ILE . 51.8 p -48.85 -19.51 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.86 -37.5 17.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -64.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.44 33.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -136.18 143.53 44.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.485 ' HG2' ' CG ' ' A' ' 37' ' ' PRO . 53.7 Cg_endo -69.77 176.16 7.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.699 2.266 . . . . 0.0 112.349 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -85.13 -30.5 23.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.544 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 9.5 mt-10 -42.31 -65.29 0.54 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.62 0.724 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.79 -50.37 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.323 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.692 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -47.17 -25.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.06 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' HA ' HD11 ' A' ' 25' ' ' ILE . 34.4 tt0 -82.37 -44.36 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.81 -53.4 33.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.92 -63.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 38' ' ' ALA . 23.1 mt -40.78 -54.92 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -44.28 -36.41 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -92.79 -17.31 24.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 53.6 m-80 -98.55 37.77 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 40.25 32.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 13.2 mmt 65.09 46.88 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' O ' HD23 ' A' ' 42' ' ' LEU . 3.4 t-20 -110.66 153.25 25.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.415 HD11 ' CD1' ' A' ' 28' ' ' LEU . 7.5 tp -93.34 -46.2 7.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.43 -37.26 86.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -76.81 -40.64 47.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -70.25 -53.16 18.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 51.3 mtp -48.4 -50.41 30.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -62.25 -35.67 79.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.92 -27.56 69.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 37' ' ' PRO . 5.7 mt -92.05 -41.61 10.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' GLU . 4.7 mt -70.2 -52.9 19.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' LEU . 3.1 pp20? -34.51 -40.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' GLU . 26.5 mtpp -36.56 -51.52 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -132.98 150.81 52.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.905 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.7 t -74.89 106.1 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -135.38 -175.32 3.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.548 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.4 p -114.07 113.1 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -106.96 172.97 6.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -67.38 150.1 49.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -41.02 -44.63 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 136.38 157.21 7.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.548 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.6 mp -88.92 101.52 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -160.19 74.14 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 p -115.7 140.52 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.1 153.39 44.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -129.1 146.5 51.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 74' ' ' ASN . 7.4 p80 -76.83 -44.13 33.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 73' ' ' HIS . 5.2 m120 -161.69 137.79 7.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.44 173.9 24.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 ttt -153.87 119.8 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.764 0.316 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -156.96 123.72 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -174.47 125.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -75.26 -59.21 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -78.15 119.12 21.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -121.31 -158.84 10.51 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 99.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.367 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.2 m -138.62 174.51 10.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 89.2 p -174.66 157.84 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -37.49 155.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.75 ' CB ' ' HB3' ' A' ' 77' ' ' ALA . 79.7 p -86.62 -47.02 9.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.68 41.33 99.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 p -89.35 124.81 34.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.326 . . . . 0.0 110.919 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -65.52 137.93 57.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.28 147.32 17.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.33 -160.99 17.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 29.9 mmt -114.38 131.81 56.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -102.45 -45.07 5.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -78.71 -40.56 33.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.0 p -102.4 117.7 35.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.34 124.22 1.49 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -85.81 89.48 7.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.732 0.301 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -90.49 101.62 14.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.545 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 3.1 m-20 -106.9 131.65 53.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -56.23 -25.57 48.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.72 -57.86 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.581 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 8.0 p-90 -63.56 -35.94 82.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.581 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 83.7 mt -62.26 -43.14 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -40.91 -40.58 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.9 t -58.13 -46.19 86.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -42.22 -54.26 3.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 70.4 mt -61.52 -40.33 94.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.506 HD11 ' HA ' ' A' ' 39' ' ' GLU . 3.8 mm -58.96 -51.22 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -41.17 -57.7 2.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -43.62 -35.41 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.541 ' CD1' HD11 ' A' ' 49' ' ' LEU . 9.9 mp -82.64 -42.64 17.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.456 HG23 HG22 ' A' ' 25' ' ' ILE . 51.1 p -55.16 -25.02 29.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -83.71 -30.53 26.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.4 mtm -66.58 -65.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.11 32.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -135.71 141.06 35.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.682 0.753 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.8 Cg_endo -69.72 158.75 55.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.442 ' HB2' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -69.53 -29.81 67.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 11.2 mm-40 -41.88 -65.29 0.52 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.615 0.721 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.6 Cg_endo -69.74 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.734 2.289 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.646 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -48.12 -21.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.506 ' HA ' HD11 ' A' ' 25' ' ' ILE . 13.1 tt0 -88.88 -48.54 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 4.4 pt-20 -63.6 -46.28 86.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -58.84 -63.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 38' ' ' ALA . 11.6 mt -34.99 -59.99 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -42.9 -41.6 3.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' ALA . 67.7 m -85.34 -20.35 30.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 33.7 m-80 -93.69 35.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 41.81 44.92 2.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.418 ' SD ' ' CE ' ' A' ' 21' ' ' MET . 10.3 mmt 48.17 53.72 11.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -123.6 149.15 45.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.541 HD11 ' CD1' ' A' ' 28' ' ' LEU . 9.9 tp -85.92 -48.02 9.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.12 -37.81 84.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.44 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 36.9 mt-30 -77.58 -44.46 28.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.465 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -58.98 -51.42 70.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.093 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 18.2 mtp -50.44 -59.62 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 t -48.76 -40.26 28.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.02 -29.81 65.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -90.61 -41.54 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.772 ' HA ' HG12 ' A' ' 61' ' ' VAL . 6.5 mt -62.04 -33.4 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.962 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.412 ' OE1' ' C ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -42.67 -29.73 0.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 60' ' ' LYS . 37.4 mtpt -83.68 37.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 34.34 44.55 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.772 HG12 ' HA ' ' A' ' 57' ' ' LEU . 12.5 p -82.47 119.19 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 61' ' ' VAL . 18.8 m-20 -35.75 141.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.5 t -95.31 90.97 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -90.84 102.96 15.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -113.82 103.47 11.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -90.96 -46.66 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.75 142.16 3.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.6 mt -115.65 -41.97 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 120.34 97.46 1.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.1 t -89.81 -50.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 95.4 m -81.32 87.56 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -119.77 171.4 8.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -124.89 129.77 51.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -158.36 145.6 17.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.78 77.81 0.15 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -83.34 93.78 7.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.75 ' HB3' ' CB ' ' A' ' 3' ' ' SER . . . -140.02 166.98 23.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.076 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.4 -55.98 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -87.55 118.88 27.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.4 p -165.78 129.86 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.32 83.49 1.74 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 105.86 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.323 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -76.89 141.66 40.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 81.3 p -139.24 114.16 9.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.481 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -159.64 165.69 32.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.373 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.6 p -165.19 116.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.81 52.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -160.59 149.2 16.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -153.73 171.15 19.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.44 -127.69 8.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 171.57 58.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.451 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.7 tpt -59.74 90.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -100.9 129.61 46.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 77.2 p -121.11 170.82 9.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.5 p -101.77 -60.45 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.46 -162.98 0.26 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -72.9 159.67 33.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.692 0.282 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -120.6 97.76 5.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.452 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 0.8 OUTLIER -130.84 119.63 22.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.58 -27.64 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.13 -57.03 13.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.579 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 5.9 p-90 -65.47 -36.32 83.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.579 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 70.5 mt -61.62 -44.45 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.161 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.6 tpt -40.76 -38.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 25' ' ' ILE . 25.0 p -58.75 -50.59 73.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' HD2' ' CH2' ' A' ' 19' ' ' TRP . 50.2 mtp180 -37.73 -56.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.9 mt -57.72 -32.81 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.763 HG22 HG23 ' A' ' 29' ' ' THR . 4.7 mm -68.93 -50.32 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -38.42 -56.43 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -45.09 -41.59 7.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.562 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.0 mp -76.36 -55.13 5.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.763 HG23 HG22 ' A' ' 25' ' ' ILE . 72.4 p -44.56 -31.03 1.0 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.52 -31.83 47.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 28' ' ' LEU . 81.7 mtp -66.54 -69.18 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 167.59 38.98 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -139.34 144.42 40.08 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.2 Cg_endo -69.79 162.85 40.51 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.641 2.228 . . . . 0.0 112.336 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -72.84 -30.73 64.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.551 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 17.3 mm-40 -41.41 -65.39 0.49 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.645 0.736 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.7 Cg_endo -69.74 -51.01 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.24 . . . . 0.0 112.334 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.676 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -39.75 -31.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -83.27 -60.14 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -50.14 -50.41 48.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.23 -67.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 38' ' ' ALA . 15.2 mt -40.56 -52.59 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -47.81 -42.35 25.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -86.41 -19.85 29.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.49 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 45.0 m-80 -92.86 29.09 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 43.48 41.0 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.7 mmt 61.58 51.12 4.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 9.6 m-80 -117.58 131.23 56.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.4 tp -79.78 -56.62 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -41.5 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.44 ' HB2' ' CB ' ' A' ' 48' ' ' ASN . 30.8 mm-40 -67.59 -51.52 49.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.403 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -58.62 -56.13 26.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.561 ' HA ' HD12 ' A' ' 56' ' ' LEU . 49.7 mtp -41.93 -59.64 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.1 t -53.43 -40.08 64.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.14 -27.45 69.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 53' ' ' MET . 4.6 mt -88.64 -37.05 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 58' ' ' GLU . 7.2 mt -73.84 -55.0 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 pp20? -35.15 -38.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -52.86 -58.96 5.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -122.37 133.75 54.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -83.59 105.06 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.47 178.66 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.5 p -103.38 109.28 26.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -151.46 178.17 9.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -130.72 122.03 26.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -66.29 123.49 20.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.04 124.29 1.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.5 mt -136.66 138.48 41.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.351 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -144.92 101.11 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.8 t -57.39 105.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 111.135 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 57.2 m -114.64 -50.09 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -94.27 91.39 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -53.92 112.68 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -66.13 98.85 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.25 154.84 16.34 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -55.61 9.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.722 0.296 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -151.55 168.66 24.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -159.22 150.05 19.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -159.56 158.78 32.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.9 t -168.76 166.49 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 154.64 146.46 4.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 157.91 58.76 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.9 p -174.43 166.08 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.3 m -95.09 178.22 5.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m 39.9 42.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.914 0.388 . . . . 0.0 110.893 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 t -58.45 118.74 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.819 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.59 68.98 0.67 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -131.49 125.24 31.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.912 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -49.66 144.48 6.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.827 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.5 90.19 1.42 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 178.9 -75.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.539 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.15 108.58 16.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.51 41.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.2 m -48.27 118.23 2.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 t -51.65 -49.62 61.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.34 -163.52 54.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.532 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -38.6 153.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.71 0.291 . . . . 0.0 110.924 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -73.31 122.11 21.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 12.7 m-20 -112.51 170.93 7.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.657 ' HA ' HD12 ' A' ' 20' ' ' ILE . 31.6 mt-10 -92.08 -30.31 16.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.1 -50.2 69.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 7.9 p-90 -59.27 -33.73 71.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 17' ' ' GLU . 89.8 mt -64.21 -47.6 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.562 ' CE ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -34.62 -44.52 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' ILE . 6.2 t -56.04 -51.63 67.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' SER . 24.4 mtp180 -35.68 -55.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.17 -39.78 95.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.751 HG22 HG23 ' A' ' 29' ' ' THR . 3.7 mm -59.42 -48.29 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' ILE . 14.3 ttmm -37.62 -56.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -42.71 -48.95 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 31' ' ' MET . 10.9 mp -70.83 -53.45 15.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.751 HG23 HG22 ' A' ' 25' ' ' ILE . 44.5 p -42.7 -34.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.54 -29.22 33.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 28' ' ' LEU . 9.9 mtt -65.8 -69.04 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.419 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 170.3 38.86 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 2.3 m-85 -147.3 141.66 16.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.77 157.95 58.61 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.647 2.231 . . . . 0.0 112.369 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -68.4 -30.48 69.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.542 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -41.31 -65.34 0.49 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 110.895 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.653 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.6 Cg_endo -69.74 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.431 ' HA ' HD11 ' A' ' 56' ' ' LEU . . . -46.35 -22.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.471 ' HA ' HD11 ' A' ' 25' ' ' ILE . 15.9 tt0 -86.15 -55.06 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -58.16 -41.88 84.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -62.24 -61.15 2.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 48' ' ' ASN . 29.5 mt -36.74 -55.82 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.533 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 9.0 mtpm? -44.63 -44.29 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' ALA . 20.8 m -81.84 -16.25 51.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.449 ' OD1' ' C ' ' A' ' 51' ' ' GLN . 31.6 m-80 -99.99 33.73 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.6 m120 47.17 35.81 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.533 ' HE3' ' HA ' ' A' ' 43' ' ' LYS . 11.1 mmt 57.77 44.91 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.637 ' O ' HD23 ' A' ' 42' ' ' LEU . 8.5 t-20 -110.43 157.79 19.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.1 tp -93.91 -47.97 6.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -64.22 -37.52 87.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.449 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 18.1 mm-40 -78.2 -41.86 33.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.501 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -63.41 -52.25 62.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.8 mtp -50.06 -58.4 5.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 t -50.27 -29.5 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -69.46 -34.13 73.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.653 HD22 ' HB2' ' A' ' 37' ' ' PRO . 27.0 mt -85.58 -54.16 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.8 mt -48.04 -47.06 33.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -42.94 -60.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -52.07 -50.61 61.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -130.41 123.95 31.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.2 t -91.62 122.96 43.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -129.83 167.06 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.2 t -81.0 86.94 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -96.89 167.95 10.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -126.04 145.42 50.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -63.8 -42.75 97.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.2 135.92 13.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.468 ' C ' HD12 ' A' ' 68' ' ' LEU . 3.5 pp -128.74 177.07 7.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.9 95.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.5 m -84.43 159.2 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 111.109 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.2 m -76.45 117.69 18.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -123.08 -179.14 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.8 m170 56.42 44.03 25.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -98.13 168.27 10.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.12 -177.1 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 28.6 mtp -78.41 165.98 23.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.95 -64.47 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.06 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.9 95.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -60.46 151.01 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.9 p -53.38 -46.19 69.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 142.69 -158.25 26.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 90.78 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.1 p -103.61 145.63 29.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.7 p -82.85 -49.08 10.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.8 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.743 0.306 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.567 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 7.0 p-90 -58.21 -34.69 70.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.567 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 92.6 mt -64.19 -41.93 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.435 ' HE2' ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -40.42 -43.25 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' ILE . 34.5 t -55.89 -51.46 67.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' SER . 11.8 mtp180 -36.6 -56.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.506 HD13 HD22 ' A' ' 42' ' ' LEU . 24.6 mt -60.85 -36.4 79.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.586 HG22 HG23 ' A' ' 29' ' ' THR . 3.5 mm -64.21 -51.69 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' ILE . 23.9 tptp -35.04 -42.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -65.86 -64.92 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.505 HD12 ' HE1' ' A' ' 31' ' ' MET . 7.5 mp -47.04 -38.15 10.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.586 HG23 HG22 ' A' ' 25' ' ' ILE . 67.6 p -69.43 -32.21 71.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -69.34 -36.38 76.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.505 ' HE1' HD12 ' A' ' 28' ' ' LEU . 17.4 mtm -63.49 -65.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.64 38.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -132.38 145.37 56.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.467 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.3 Cg_endo -69.77 154.96 67.09 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.652 2.234 . . . . 0.0 112.333 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -70.63 -21.3 62.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 3.7 mt-10 -49.2 -64.23 1.28 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.66 0.743 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.566 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.5 Cg_endo -69.76 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.364 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.883 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -48.66 -26.2 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -86.24 -31.45 21.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -79.11 -53.6 6.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -57.23 -58.71 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 38' ' ' ALA . 9.9 mt -37.1 -63.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.435 ' HG2' ' HE2' ' A' ' 21' ' ' MET . 74.8 mttt -47.83 -33.01 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 41' ' ' ALA . 4.6 t -87.62 -20.29 26.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.814 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 41' ' ' ALA . 51.4 m-80 -94.41 21.77 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 54.6 38.94 30.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.9 mmt 62.26 45.94 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -110.25 144.32 39.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.409 ' CD1' ' CD1' ' A' ' 28' ' ' LEU . 11.4 tp -88.28 -63.09 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -52.57 -43.08 65.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -60.93 -54.71 41.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . -59.02 -59.69 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 52' ' ' ALA . 63.9 mtp -37.4 -57.18 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.9 m -58.72 -35.63 72.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -69.98 -23.55 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.566 HD22 ' HB2' ' A' ' 37' ' ' PRO . 17.8 mt -89.71 -32.43 17.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.1 mt -80.78 -38.68 28.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.898 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.739 0.304 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.538 ' CE2' HG13 ' A' ' 20' ' ' ILE . 9.1 p-90 -60.98 -33.51 73.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.538 HG13 ' CE2' ' A' ' 19' ' ' TRP . 87.1 mt -62.83 -48.8 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.9 tpt -34.85 -44.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 25' ' ' ILE . 8.3 t -55.15 -48.88 73.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' ILE . 24.5 mtp85 -38.0 -53.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.418 HD12 ' CE ' ' A' ' 21' ' ' MET . 37.4 mt -63.55 -32.78 74.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.514 HG22 HG23 ' A' ' 29' ' ' THR . 3.8 mm -69.11 -43.11 81.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -44.73 -55.45 5.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -47.33 -51.87 18.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.584 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.0 mp -63.0 -59.21 5.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.514 HG23 HG22 ' A' ' 25' ' ' ILE . 25.1 p -46.3 -26.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -75.99 -34.51 59.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.563 ' HE2' ' HA ' ' A' ' 28' ' ' LEU . 32.0 mtm -67.19 -66.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.39 38.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -133.79 143.54 48.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.7 Cg_endo -69.79 160.79 48.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.616 2.21 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -71.42 -29.63 65.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.536 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 7.6 mt-10 -42.16 -64.79 0.61 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.1 Cg_endo -69.77 -50.99 0.41 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.682 2.255 . . . . 0.0 112.306 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.97 -36.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -75.96 -58.05 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -52.95 -56.75 13.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -47.53 -66.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' ALA . 14.2 mt -35.53 -55.64 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -47.41 -42.28 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' ALA . 33.2 t -80.71 -27.34 36.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -88.55 28.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.5 m120 45.81 41.92 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 18.7 mmt 62.44 38.12 13.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -105.46 142.35 35.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.5 tp -87.31 -62.74 1.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -45.88 -42.87 13.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -66.1 -45.0 82.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.23 -59.54 4.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 70.4 mtp -42.85 -44.31 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 t -66.75 -44.91 80.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.18 -34.58 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.148 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 37' ' ' PRO . 6.4 mt -81.08 -39.66 25.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.98 -35.38 76.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.9 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.811 0.339 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.58 ' CH2' ' HD3' ' A' ' 23' ' ' ARG . 11.9 p-90 -60.96 -31.56 71.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.534 HG13 ' CE2' ' A' ' 19' ' ' TRP . 29.6 mt -67.56 -40.07 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.1 tpt -40.25 -39.94 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' ILE . 57.9 m -63.03 -45.67 91.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.58 ' HD3' ' CH2' ' A' ' 19' ' ' TRP . 12.9 mtm180 -36.59 -60.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.472 ' HA ' ' NE2' ' A' ' 27' ' ' GLN . 22.5 mt -57.04 -32.03 65.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.714 HG22 HG23 ' A' ' 29' ' ' THR . 2.7 mm -69.45 -48.42 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -43.23 -44.45 5.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.472 ' NE2' ' HA ' ' A' ' 24' ' ' LEU . 2.8 mp0 -56.52 -38.09 71.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' MET . 10.0 mp -80.29 -55.2 5.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.714 HG23 HG22 ' A' ' 25' ' ' ILE . 69.5 p -44.97 -34.69 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -80.6 -26.66 37.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 28' ' ' LEU . 17.4 mtp -69.77 -65.45 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.01 35.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.522 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -139.05 145.26 44.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.649 0.738 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.8 Cg_endo -69.75 157.01 61.86 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -68.62 -28.23 66.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.536 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -43.18 -64.84 0.65 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.641 0.734 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.8 Cg_endo -69.75 -50.99 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.15 -29.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.043 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -84.81 -49.29 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.1 -51.33 69.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -51.3 -69.27 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' ASN . 84.1 mt -36.28 -63.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' LEU . 18.9 mmtp -37.76 -41.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.3 t -82.66 -33.11 27.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' LEU . 44.6 m-80 -85.4 34.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 41.57 38.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.8 mmt 63.78 53.06 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.442 ' O ' HD23 ' A' ' 42' ' ' LEU . 13.1 m120 -118.14 144.21 45.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.407 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.4 tp -86.65 -56.26 3.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.77 -42.66 93.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.411 ' HB2' ' CB ' ' A' ' 48' ' ' ASN . 30.7 mt-30 -68.74 -41.5 78.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.518 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -64.77 -58.61 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 29.2 mtp -38.69 -62.34 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.6 t -46.24 -35.25 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -64.93 -33.49 76.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.085 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' A' ' 37' ' ' PRO . 19.1 mt -84.09 -40.6 18.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' GLU . 8.9 mt -67.16 -55.35 14.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' LEU . 16.4 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.737 0.303 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.573 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.3 p-90 -57.76 -36.55 72.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.573 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 74.8 mt -60.64 -47.69 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' ILE . 14.0 tpp -37.45 -45.22 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.5 m -52.24 -47.6 65.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -41.68 -58.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 mt -56.95 -33.94 67.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.557 HG22 HG23 ' A' ' 29' ' ' THR . 5.6 mm -67.21 -50.86 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -43.01 -58.59 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -42.65 -41.89 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.572 ' CD1' HD11 ' A' ' 49' ' ' LEU . 9.2 mp -75.41 -57.33 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.557 HG23 HG22 ' A' ' 25' ' ' ILE . 67.1 p -40.72 -37.1 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.42 -42.08 83.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' LEU . 4.8 mmt -56.33 -59.33 5.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.04 33.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -128.42 144.1 50.69 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.2 Cg_endo -69.74 155.57 65.64 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -68.98 -25.44 64.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.533 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 1.8 mm-40 -45.67 -64.95 0.74 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.618 0.723 . . . . 0.0 110.899 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.533 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.04 -28.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -82.29 -62.02 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -50.31 -54.11 23.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.22 -63.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.4 mt -42.55 -47.05 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.806 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 1.8 mmmp? -55.11 -34.9 64.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.4 m -94.36 -16.38 23.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -99.93 27.48 5.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 43.37 47.36 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.806 ' HE1' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 51.24 53.98 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -118.79 123.26 44.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.572 HD11 ' CD1' ' A' ' 28' ' ' LEU . 9.9 tp -67.03 -66.83 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -43.34 -46.93 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.98 -49.12 73.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -55.4 -59.49 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.608 ' O ' HD12 ' A' ' 57' ' ' LEU . 31.7 mtp -42.29 -61.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.5 t -57.63 -27.27 62.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -73.63 -23.94 59.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.453 HD22 ' HB2' ' A' ' 37' ' ' PRO . 39.8 mt -92.29 -50.42 5.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 53' ' ' MET . 5.4 mp -57.61 -47.48 82.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' LEU . 9.0 pt-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.754 0.311 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.581 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.8 p-90 -63.23 -34.13 76.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.581 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 77.3 mt -65.65 -44.96 93.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.44 ' CE ' ' HB2' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -38.9 -40.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 25' ' ' ILE . 30.5 t -58.74 -48.25 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -39.92 -55.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.418 HD13 HD22 ' A' ' 42' ' ' LEU . 8.7 mt -55.56 -34.97 65.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.647 HG22 HG23 ' A' ' 29' ' ' THR . 3.2 mm -64.92 -43.9 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -50.66 -26.0 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -74.73 -37.52 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mp -80.68 -45.41 17.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.647 HG23 HG22 ' A' ' 25' ' ' ILE . 60.4 p -51.46 -28.9 14.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.22 -37.12 61.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -72.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.69 32.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -130.43 145.56 57.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.478 ' HG2' ' CG ' ' A' ' 37' ' ' PRO . 54.1 Cg_endo -69.75 174.16 9.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' CD ' ' H ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -84.7 -28.06 26.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.537 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 5.6 mt-10 -44.24 -64.69 0.75 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.688 0.756 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.75 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.98 -23.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -88.4 -52.95 4.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 6.1 pt-20 -57.75 -45.88 85.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.45 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -56.85 -58.81 6.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.44 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 33.3 mt -41.14 -54.51 2.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -46.53 -42.81 16.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 m -81.47 -26.15 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -90.68 30.26 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 43.99 40.21 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.7 mmt 63.3 37.76 10.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -102.29 144.53 30.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -85.56 -67.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.46 -47.24 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -63.87 -38.07 89.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.6 -60.8 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.407 ' HA ' HD12 ' A' ' 56' ' ' LEU . 44.2 mtp -44.29 -62.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 t -47.36 -48.04 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.84 -30.54 23.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 53' ' ' MET . 3.0 mt -91.44 -61.48 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mt -47.59 -29.27 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.92 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.804 0.335 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.578 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 7.0 p-90 -54.84 -35.54 64.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.578 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 86.7 mt -62.92 -48.41 88.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.608 ' HE2' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -35.63 -43.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.8 m -56.52 -47.92 78.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' ILE . 29.3 mtp180 -39.79 -57.74 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.0 mt -57.37 -42.1 81.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.481 HG22 HG23 ' A' ' 29' ' ' THR . 7.6 mm -54.26 -50.98 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 27' ' ' GLN . 42.5 tptt -41.21 -61.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' LYS . 15.2 mm100 -38.01 -38.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' MET . 11.0 mp -79.8 -52.46 7.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.481 HG23 HG22 ' A' ' 25' ' ' ILE . 60.6 p -44.62 -29.54 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -80.26 -32.25 38.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' LEU . 17.4 mtt -65.23 -66.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.71 37.55 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -140.61 142.91 30.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.73 166.18 28.44 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -75.1 -32.38 61.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.543 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.2 mt-10 -40.13 -65.1 0.47 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.694 0.759 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.71 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.496 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -45.25 -22.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.437 ' HA ' HD11 ' A' ' 25' ' ' ILE . 11.2 tt0 -90.3 -55.04 3.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 6.1 pt-20 -54.98 -43.5 73.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -62.13 -60.87 2.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.608 HD13 ' HE2' ' A' ' 21' ' ' MET . 26.6 mt -36.04 -54.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -47.0 -43.25 19.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ALA . 48.7 m -83.89 -17.8 39.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -94.91 32.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 41.4 34.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 11.3 mmt 62.52 51.88 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -118.96 148.68 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 tp -87.99 -59.84 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -53.48 -42.42 67.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -66.91 -49.34 65.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.41 -56.12 26.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 20.2 mtp -45.93 -61.39 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.8 t -50.85 -40.9 57.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.26 -34.21 70.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 mt -84.01 -40.47 18.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.3 -45.24 94.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.778 0.323 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.588 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.6 p-90 -56.15 -35.96 67.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.588 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 85.6 mt -62.2 -49.36 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -34.41 -44.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' ARG . 24.1 t -54.41 -49.72 69.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ILE . 22.4 mtp85 -37.58 -58.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.1 mt -57.02 -38.31 72.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.658 HG22 HG23 ' A' ' 29' ' ' THR . 11.1 mm -61.47 -52.97 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ILE . 43.9 tptt -36.54 -62.46 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -38.36 -43.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' MET . 10.0 mp -74.52 -58.59 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.658 HG23 HG22 ' A' ' 25' ' ' ILE . 58.3 p -39.33 -36.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.95 -40.49 78.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 28' ' ' LEU . 9.7 mtt -57.48 -64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.76 36.1 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -132.39 142.72 45.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.684 0.754 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.74 157.27 61.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -68.22 -29.38 68.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.536 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -42.15 -64.7 0.63 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.925 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.574 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.83 -50.96 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.298 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.445 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -42.91 -40.57 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.442 ' HA ' HD11 ' A' ' 25' ' ' ILE . 44.1 tt0 -72.3 -48.42 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -59.91 -59.28 5.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -46.33 -64.66 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 45' ' ' ASN . 16.1 mt -35.53 -64.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 32.4 mttp -38.87 -39.55 0.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 41' ' ' ALA . 16.2 m -83.16 -31.75 26.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' LEU . 59.9 m-80 -86.49 34.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 41.52 36.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.431 ' SD ' ' CE ' ' A' ' 21' ' ' MET . 12.1 mmt 65.56 46.72 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -110.71 152.66 26.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.2 tp -91.93 -61.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -54.77 -42.48 71.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -64.13 -47.57 79.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.52 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -63.79 -60.62 3.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 55.7 mtp -38.38 -64.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -48.81 -35.57 14.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -64.63 -34.71 78.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.574 HD22 ' HB2' ' A' ' 37' ' ' PRO . 16.5 mt -83.92 -38.64 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' GLU . 6.8 mt -70.1 -53.71 16.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.0 pp20? . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.763 0.316 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.551 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 7.8 p-90 -55.93 -34.07 65.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.551 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 86.5 mt -65.1 -47.5 87.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.529 ' CE ' HD12 ' A' ' 24' ' ' LEU . 1.4 tpt -35.59 -42.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' ILE . 22.5 t -57.59 -49.71 75.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' ILE . 31.0 mtp180 -37.17 -54.35 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.529 HD12 ' CE ' ' A' ' 21' ' ' MET . 26.1 mt -61.58 -39.54 91.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.563 HG22 HG23 ' A' ' 29' ' ' THR . 9.5 mm -57.22 -48.05 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -42.11 -63.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -38.26 -46.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.18 -56.22 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.563 HG23 HG22 ' A' ' 25' ' ' ILE . 70.5 p -51.01 -18.1 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.8 -29.14 24.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 13.8 mtt -72.55 -56.27 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.79 38.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -134.18 143.5 47.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.671 0.748 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 54.1 Cg_endo -69.73 156.67 62.8 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.753 2.302 . . . . 0.0 112.324 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -69.32 -26.66 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.6 mm-40 -44.6 -65.17 0.66 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.657 0.741 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 54.0 Cg_endo -69.74 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.472 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -41.99 -39.07 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HA ' HD11 ' A' ' 25' ' ' ILE . 12.9 tt0 -73.45 -49.63 25.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.07 -58.76 7.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -43.99 -65.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.515 HD13 ' CE ' ' A' ' 21' ' ' MET . 19.3 mt -35.3 -59.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -43.67 -41.13 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' ALA . 20.3 m -81.29 -27.95 34.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -90.42 30.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 45.52 38.39 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.476 ' CE ' ' SD ' ' A' ' 21' ' ' MET . 11.4 mmt 64.23 40.37 6.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -104.95 142.01 35.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.9 tp -82.96 -66.32 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.4 -45.56 17.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -65.44 -47.23 76.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.14 -58.73 7.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.8 mtp -43.53 -59.68 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 t -52.29 -47.21 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.55 -31.59 36.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.5 HD22 ' HB2' ' A' ' 37' ' ' PRO . 17.1 mt -86.16 -57.33 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.3 mt -46.66 -43.36 17.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.797 0.332 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.581 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.2 p-90 -62.27 -35.86 80.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.581 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 90.4 mt -62.39 -41.02 90.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.629 ' HE1' ' HB2' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -42.54 -39.6 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' ILE . 3.4 p -58.09 -51.54 69.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' SER . 18.7 mtp85 -37.53 -52.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.02 -40.33 97.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.519 HD11 ' HA ' ' A' ' 39' ' ' GLU . 4.6 mm -59.71 -50.47 79.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -42.88 -58.99 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -41.22 -38.03 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.586 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.7 mp -79.97 -52.99 7.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.482 HG23 HG22 ' A' ' 25' ' ' ILE . 67.9 p -43.16 -37.58 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -71.51 -34.78 70.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' LEU . 19.8 mtt -62.35 -65.39 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.451 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 161.02 41.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 8.9 m-85 -141.81 143.7 29.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.675 0.75 . . . . 0.0 110.844 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.8 Cg_endo -69.81 159.06 54.76 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -70.27 -28.55 65.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.529 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 3.4 mm-40 -42.87 -64.47 0.72 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.699 0.762 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.77 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.808 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -47.67 -20.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.519 ' HA ' HD11 ' A' ' 25' ' ' ILE . 11.1 tp10 -87.74 -56.56 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 4.6 pt-20 -59.73 -47.59 85.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.489 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -50.63 -64.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.808 HD12 ' O ' ' A' ' 38' ' ' ALA . 21.3 mt -43.19 -65.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HG2' ' CE ' ' A' ' 21' ' ' MET . 2.4 mmmp? -42.04 -25.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' LEU . 1.3 t -95.14 -29.82 14.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' LEU . 49.6 m-80 -92.05 25.75 2.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 m120 57.54 40.96 26.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.419 ' N ' ' SD ' ' A' ' 47' ' ' MET . 8.7 mmm 60.11 44.4 13.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.775 ' O ' HD23 ' A' ' 42' ' ' LEU . 3.0 m-20 -107.13 148.74 28.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.586 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.2 tp -92.86 -59.45 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -55.51 -44.09 76.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -64.71 -47.96 76.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' MET . . . -61.92 -59.52 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.577 ' HA ' HD12 ' A' ' 56' ' ' LEU . 42.9 mtp -35.07 -59.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.9 t -50.76 -52.85 36.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.49 -16.79 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 53' ' ' MET . 21.6 mt -92.43 -47.21 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 53' ' ' MET . 5.3 mp -66.1 -38.59 88.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' LEU . 8.9 mt-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.759 0.314 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.514 ' CE2' HG13 ' A' ' 20' ' ' ILE . 8.2 p-90 -61.28 -33.99 74.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.514 HG13 ' CE2' ' A' ' 19' ' ' TRP . 67.3 mt -63.5 -45.89 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' ILE . 18.9 tpp -37.08 -43.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' ARG . 4.4 m -56.84 -49.9 74.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' SER . 36.3 mtp180 -36.72 -59.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.8 mt -58.73 -38.8 79.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.561 HG22 HG23 ' A' ' 29' ' ' THR . 5.0 mm -60.5 -52.27 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -41.03 -60.8 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -40.47 -40.96 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.5 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 10.0 mp -76.76 -51.97 10.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.561 HG23 HG22 ' A' ' 25' ' ' ILE . 58.9 p -47.93 -24.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -84.66 -31.23 24.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.5 ' HE2' ' HA ' ' A' ' 28' ' ' LEU . 62.1 mtm -66.75 -64.92 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.66 39.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -137.84 144.02 42.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.711 0.767 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 54.5 Cg_endo -69.74 157.34 60.76 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.0 ptt-85 -70.07 -26.47 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.4 mt-10 -44.79 -65.11 0.67 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.683 0.754 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.4 Cg_endo -69.8 -50.83 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.91 -25.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -85.13 -61.08 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 7.3 pt-20 -51.09 -46.69 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -53.6 -68.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 45' ' ' ASN . 94.0 mt -39.07 -56.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.405 ' HD2' ' HE1' ' A' ' 47' ' ' MET . 8.8 mmmm -42.24 -38.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -94.04 -19.89 20.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' LEU . 71.2 m-80 -96.55 24.88 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.0 m120 44.14 49.71 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.493 ' N ' ' SD ' ' A' ' 47' ' ' MET . 0.0 OUTLIER 48.57 54.54 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 37.3 m-20 -115.07 130.53 56.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 tp -77.43 -56.27 4.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -55.6 -41.4 73.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.424 ' HB2' ' CB ' ' A' ' 48' ' ' ASN . 39.2 mm-40 -73.43 -47.3 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 48' ' ' ASN . . . -56.22 -52.22 65.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.6 mtp -47.77 -59.71 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 t -51.24 -43.44 61.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.48 -31.4 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 mt -88.26 -42.29 12.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.65 -31.07 70.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.764 0.316 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.535 ' CE2' HG13 ' A' ' 20' ' ' ILE . 7.5 p-90 -59.57 -34.43 72.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.535 HG13 ' CE2' ' A' ' 19' ' ' TRP . 74.4 mt -63.72 -48.27 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.132 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' ILE . 9.0 tpp -34.74 -44.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' ILE . 3.7 m -54.89 -50.89 67.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ILE . 17.8 mtp85 -38.2 -56.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.7 mt -58.24 -37.46 74.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.541 HG22 ' CG2' ' A' ' 29' ' ' THR . 4.2 mm -64.95 -50.97 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.8 tttt -43.18 -51.67 5.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -48.74 -35.17 13.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.505 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.1 mp -83.52 -50.5 8.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.541 ' CG2' HG22 ' A' ' 25' ' ' ILE . 24.3 p -48.0 -24.49 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -84.12 -34.0 24.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 15.0 mtt -63.95 -64.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 161.53 40.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 10.8 m-85 -140.66 143.82 33.82 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 54.0 Cg_endo -69.74 156.86 62.32 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.679 2.253 . . . . 0.0 112.398 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -68.99 -27.67 65.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.543 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 1.9 mm-40 -43.75 -65.34 0.6 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.645 0.736 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.552 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.9 Cg_endo -69.75 -50.94 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.7 -25.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' PRO . 12.2 tt0 -84.23 -62.48 1.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 5.8 pt-20 -50.26 -43.86 53.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -57.23 -68.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' ALA . 72.3 mt -34.87 -49.91 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.631 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 19.0 mmtp -46.37 -46.39 18.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ALA . 23.3 t -87.03 -20.29 27.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.458 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 46.9 m-80 -91.82 16.03 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 63.1 t30 53.43 47.35 24.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.631 ' HE1' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 48.43 50.31 16.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.25 148.43 42.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 28' ' ' LEU . 7.9 tp -86.75 -47.28 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.7 -37.62 84.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.421 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 17.7 mm100 -79.9 -40.07 29.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.458 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -65.55 -51.39 60.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.623 ' O ' HD12 ' A' ' 57' ' ' LEU . 48.8 mtp -49.82 -62.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 t -52.31 -36.43 53.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.91 -28.36 69.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.552 HD22 ' HB2' ' A' ' 37' ' ' PRO . 60.4 mt -92.31 -51.23 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 53' ' ' MET . 5.4 mp -56.49 -46.69 80.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 pp20? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.726 0.298 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.57 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 8.5 p-90 -61.32 -35.25 76.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.57 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 91.2 mt -63.28 -47.59 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.476 ' CE ' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -35.6 -43.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.84 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.7 m -56.99 -49.72 74.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.794 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' ILE . 13.1 mtp180 -39.61 -57.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.7 mt -57.67 -39.17 76.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.633 HG22 HG23 ' A' ' 29' ' ' THR . 3.5 mm -61.27 -56.58 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -35.51 -59.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -41.34 -43.67 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.423 ' CD1' HD11 ' A' ' 49' ' ' LEU . 8.5 mp -74.29 -51.84 14.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.633 HG23 HG22 ' A' ' 25' ' ' ILE . 39.6 p -51.58 -21.94 2.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -84.91 -25.44 27.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.0 mtm -73.71 -69.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.13 30.16 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -131.59 145.99 59.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.485 ' HG2' ' CG ' ' A' ' 37' ' ' PRO . 53.4 Cg_endo -69.77 178.53 4.48 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.306 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -25.78 21.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.542 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 5.8 mt-10 -46.73 -64.97 0.78 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.83 -50.87 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.344 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.84 -24.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -87.6 -56.97 3.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -53.24 -40.49 64.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -60.36 -71.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 41' ' ' ALA . 58.0 mt -34.71 -49.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.462 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 32.5 mttp -43.76 -47.72 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' ALA . 6.1 t -89.42 -21.18 23.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -90.39 27.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.9 m120 42.33 45.73 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.499 ' N ' ' SD ' ' A' ' 47' ' ' MET . 0.0 OUTLIER 50.66 53.56 12.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -112.83 132.81 55.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.423 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.3 tp -76.2 -62.21 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -50.04 -45.04 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -64.79 -51.51 61.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.8 -57.01 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.3 mtp -44.47 -53.99 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.8 t -58.95 -35.7 73.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.3 -36.3 83.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 37' ' ' PRO . 8.2 mt -82.11 -39.21 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mt -64.73 -47.83 76.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.576 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.8 p-90 -63.32 -34.78 78.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.576 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 85.1 mt -64.26 -46.51 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.45 ' CE ' ' HE1' ' A' ' 47' ' ' MET . 0.2 OUTLIER -38.48 -40.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -59.0 -44.35 91.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' ILE . 29.6 mtp180 -44.72 -49.03 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.8 mt -65.02 -30.05 71.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.495 HG22 HG23 ' A' ' 29' ' ' THR . 7.5 mm -67.06 -47.85 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -41.3 -61.31 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -41.17 -52.08 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mp -62.98 -50.41 70.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.495 HG23 HG22 ' A' ' 25' ' ' ILE . 62.0 p -56.42 -20.64 20.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.08 -15.15 34.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 71.1 mtp -85.5 -64.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 165.59 39.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.534 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 14.4 m-85 -141.19 143.03 29.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.627 0.727 . . . . 0.0 110.94 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.3 Cg_endo -69.77 163.15 39.36 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.4 ptt-85 -71.95 -32.75 67.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.55 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.1 mt-10 -39.79 -65.53 0.42 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.7 Cg_endo -69.8 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.329 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.41 -40.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -78.52 -56.08 4.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.62 -59.03 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.447 ' HB1' ' ND2' ' A' ' 45' ' ' ASN . . . -51.92 -63.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' ALA . 18.2 mt -35.02 -60.07 0.47 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' CG ' ' HE1' ' A' ' 21' ' ' MET . 21.2 mtpt -43.8 -48.06 8.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.9 m -77.82 -20.89 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.447 ' ND2' ' HB1' ' A' ' 41' ' ' ALA . 68.4 m-80 -94.35 30.97 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 m120 42.2 36.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.45 ' HE1' ' CE ' ' A' ' 21' ' ' MET . 11.3 mmt 65.54 43.48 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -106.43 137.08 45.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -82.67 -63.86 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -48.55 -45.6 37.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -66.23 -42.76 88.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.411 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -62.65 -59.57 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 58.3 mtp -43.12 -59.72 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.8 t -53.84 -38.37 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.76 -23.41 67.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' A' ' 37' ' ' PRO . 52.6 mt -91.75 -53.39 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 58' ' ' GLU . 7.8 mt -55.73 -53.33 57.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.5 pp20? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.79 0.329 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.574 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 5.9 p-90 -49.81 -36.84 27.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.574 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 97.4 mt -60.31 -45.34 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.473 ' SD ' HD13 ' A' ' 42' ' ' LEU . 1.4 tpp -38.86 -42.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 23' ' ' ARG . 3.7 p -54.61 -51.76 64.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' SER . 35.1 mtp180 -36.32 -57.68 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.452 HD13 HD22 ' A' ' 42' ' ' LEU . 22.0 mt -57.62 -40.52 79.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.545 HG22 HG23 ' A' ' 29' ' ' THR . 13.1 mm -56.19 -54.79 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -36.24 -61.58 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -41.99 -54.34 3.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 9.9 mp -61.0 -54.67 42.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.545 HG23 HG22 ' A' ' 25' ' ' ILE . 82.3 p -51.81 -27.97 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.3 -25.9 46.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.465 ' HE2' ' HA ' ' A' ' 28' ' ' LEU . 39.1 mtm -74.68 -59.88 2.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.27 39.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -138.06 143.57 40.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.677 0.751 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.468 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.76 160.04 51.19 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.667 2.245 . . . . 0.0 112.387 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 ptt85 -71.07 -29.29 65.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.544 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 5.5 mm-40 -42.45 -65.41 0.54 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.636 0.731 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.8 Cg_endo -69.73 -50.98 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.789 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -41.47 -35.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.078 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -76.89 -56.92 4.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -54.81 -56.01 24.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -47.23 -68.05 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 38' ' ' ALA . 8.8 mt -35.03 -65.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -41.07 -38.62 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 41' ' ' ALA . 29.8 m -81.13 -31.97 33.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.808 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' LEU . 60.8 m-80 -85.32 26.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 49.44 46.04 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 2.4 mmt 57.13 46.31 19.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -112.8 139.04 48.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.3 tp -86.85 -61.32 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -50.43 -44.13 55.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -62.6 -47.64 82.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' MET . . . -61.58 -60.7 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' ALA . 67.3 mtp -35.58 -47.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.9 p -67.69 -45.11 76.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -57.44 -34.46 68.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.403 HD22 ' HB2' ' A' ' 37' ' ' PRO . 4.8 mt -83.23 -46.07 13.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' GLU . 10.7 mt -58.15 -46.28 85.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' LEU . 3.1 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.722 0.296 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.536 ' CE2' HG13 ' A' ' 20' ' ' ILE . 9.2 p-90 -57.15 -32.02 65.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.536 HG13 ' CE2' ' A' ' 19' ' ' TRP . 96.4 mt -65.89 -39.31 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.643 ' CE ' HD13 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -43.23 -40.86 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ILE . 5.3 t -58.44 -48.18 81.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -39.18 -56.04 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.16 -35.82 76.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.591 HG22 ' CG2' ' A' ' 29' ' ' THR . 4.4 mm -65.2 -54.23 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ILE . 63.1 tttt -37.64 -55.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -45.03 -42.03 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.2 mp -76.3 -46.65 26.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.591 ' CG2' HG22 ' A' ' 25' ' ' ILE . 19.9 p -53.49 -27.99 28.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -84.25 -22.65 30.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 37.9 mtm -74.18 -69.41 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.8 34.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -140.31 143.16 32.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.3 Cg_endo -69.76 168.14 22.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -76.89 -32.46 57.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.539 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 8.6 mt-10 -40.12 -64.8 0.5 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.633 0.73 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.743 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.9 Cg_endo -69.72 -50.99 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.554 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -46.64 -21.9 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -89.8 -51.45 5.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 4.8 pt-20 -60.77 -48.19 82.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -56.71 -62.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.643 HD13 ' CE ' ' A' ' 21' ' ' MET . 38.7 mt -38.56 -49.62 1.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -49.16 -41.01 35.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' ALA . 19.6 m -87.99 -13.18 42.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 51' ' ' GLN . 38.8 m-80 -100.81 32.44 3.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 42.1 36.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 10.5 mmt 60.24 51.82 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -117.16 153.91 32.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.457 HD11 ' CD1' ' A' ' 28' ' ' LEU . 8.5 tp -92.74 -45.69 7.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.88 -37.09 85.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.446 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 7.4 mm100 -79.61 -41.5 26.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.409 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -66.41 -50.16 64.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 45.1 mtp -51.42 -56.01 15.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.3 t -55.96 -34.79 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.78 -33.25 75.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.743 HD22 ' HB2' ' A' ' 37' ' ' PRO . 15.2 mt -86.0 -42.81 13.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.49 -48.87 68.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.818 0.342 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.568 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.9 p-90 -61.91 -34.66 76.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.568 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 98.8 mt -64.49 -45.82 94.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.154 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.533 ' HE1' ' CB ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -36.7 -45.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' ILE . 15.3 t -54.66 -49.04 71.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' HD2' ' CZ3' ' A' ' 19' ' ' TRP . 28.2 mtp180 -37.62 -54.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.536 HD13 HD22 ' A' ' 42' ' ' LEU . 12.7 mt -64.34 -35.41 80.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' SER . 3.1 mm -65.22 -35.65 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -55.2 -46.22 75.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -55.81 -45.14 78.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.48 -58.1 4.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.0 p -48.71 -22.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.68 -32.52 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.8 mtm -71.24 -72.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.09 41.74 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -139.05 143.64 37.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.4 Cg_endo -69.81 167.59 24.07 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.707 2.272 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -77.74 -29.5 51.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.554 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.4 mp0 -42.72 -65.57 0.53 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.741 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.6 Cg_endo -69.75 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.393 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -44.33 -29.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.064 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.441 ' OE1' HD11 ' A' ' 25' ' ' ILE . 8.2 tp10 -82.98 -58.85 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -50.22 -40.29 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -68.51 -69.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.536 HD22 HD13 ' A' ' 24' ' ' LEU . 16.2 mt -34.78 -47.26 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -52.4 -45.9 66.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' ALA . 31.7 m -85.72 -13.92 46.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.453 ' OD1' ' C ' ' A' ' 51' ' ' GLN . 30.4 m-80 -95.75 34.78 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 39.84 35.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 6.2 mmt 61.13 47.4 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -112.35 152.2 28.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.6 tp -91.79 -46.95 7.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.79 -37.2 86.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.453 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 34.1 mt-30 -78.85 -39.24 35.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.47 -53.38 23.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.1 mtp -47.94 -59.31 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 t -45.92 -46.5 16.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.17 -32.1 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 37' ' ' PRO . 10.2 mt -87.88 -51.35 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 58' ' ' GLU . 13.2 mt -54.4 -57.4 11.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 57' ' ' LEU . 47.0 mm-40 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.553 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 8.4 p-90 -62.32 -34.47 76.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.553 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 98.6 mt -64.46 -46.13 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.577 ' CE ' HD13 ' A' ' 42' ' ' LEU . 3.7 tpt -38.0 -40.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' ILE . 23.0 t -58.85 -45.87 89.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' ILE . 22.2 mtp180 -42.69 -49.47 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.565 HD12 ' HE3' ' A' ' 21' ' ' MET . 85.9 mt -63.47 -30.24 71.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.627 HG22 HG23 ' A' ' 29' ' ' THR . 4.2 mm -70.6 -51.68 35.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -40.42 -47.95 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -52.51 -38.42 59.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.415 ' CD1' HD11 ' A' ' 49' ' ' LEU . 9.5 mp -80.83 -47.39 13.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.627 HG23 HG22 ' A' ' 25' ' ' ILE . 51.8 p -48.85 -19.51 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.86 -37.5 17.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -64.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.44 33.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -136.18 143.53 44.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.485 ' HG2' ' CG ' ' A' ' 37' ' ' PRO . 53.7 Cg_endo -69.77 176.16 7.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.699 2.266 . . . . 0.0 112.349 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -85.13 -30.5 23.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.544 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 9.5 mt-10 -42.31 -65.29 0.54 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.62 0.724 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.79 -50.37 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.323 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.692 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -47.17 -25.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.06 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' HA ' HD11 ' A' ' 25' ' ' ILE . 34.4 tt0 -82.37 -44.36 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.81 -53.4 33.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.92 -63.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 38' ' ' ALA . 23.1 mt -40.78 -54.92 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -44.28 -36.41 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -92.79 -17.31 24.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 53.6 m-80 -98.55 37.77 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 40.25 32.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 13.2 mmt 65.09 46.88 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' O ' HD23 ' A' ' 42' ' ' LEU . 3.4 t-20 -110.66 153.25 25.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.415 HD11 ' CD1' ' A' ' 28' ' ' LEU . 7.5 tp -93.34 -46.2 7.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.43 -37.26 86.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -76.81 -40.64 47.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.464 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -70.25 -53.16 18.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 51.3 mtp -48.4 -50.41 30.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -62.25 -35.67 79.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.92 -27.56 69.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 37' ' ' PRO . 5.7 mt -92.05 -41.61 10.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' GLU . 4.7 mt -70.2 -52.9 19.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' LEU . 3.1 pp20? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.765 0.317 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.581 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 8.0 p-90 -63.56 -35.94 82.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.581 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 83.7 mt -62.26 -43.14 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -40.91 -40.58 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.9 t -58.13 -46.19 86.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -42.22 -54.26 3.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 70.4 mt -61.52 -40.33 94.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.506 HD11 ' HA ' ' A' ' 39' ' ' GLU . 3.8 mm -58.96 -51.22 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -41.17 -57.7 2.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -43.62 -35.41 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.541 ' CD1' HD11 ' A' ' 49' ' ' LEU . 9.9 mp -82.64 -42.64 17.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.456 HG23 HG22 ' A' ' 25' ' ' ILE . 51.1 p -55.16 -25.02 29.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -83.71 -30.53 26.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.4 mtm -66.58 -65.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.11 32.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -135.71 141.06 35.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.682 0.753 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.8 Cg_endo -69.72 158.75 55.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.442 ' HB2' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -69.53 -29.81 67.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 11.2 mm-40 -41.88 -65.29 0.52 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.615 0.721 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.6 Cg_endo -69.74 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.734 2.289 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.646 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -48.12 -21.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.506 ' HA ' HD11 ' A' ' 25' ' ' ILE . 13.1 tt0 -88.88 -48.54 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 4.4 pt-20 -63.6 -46.28 86.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -58.84 -63.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 38' ' ' ALA . 11.6 mt -34.99 -59.99 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -42.9 -41.6 3.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' ALA . 67.7 m -85.34 -20.35 30.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 33.7 m-80 -93.69 35.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 41.81 44.92 2.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.418 ' SD ' ' CE ' ' A' ' 21' ' ' MET . 10.3 mmt 48.17 53.72 11.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.6 149.15 45.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.541 HD11 ' CD1' ' A' ' 28' ' ' LEU . 9.9 tp -85.92 -48.02 9.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.12 -37.81 84.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.44 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 36.9 mt-30 -77.58 -44.46 28.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.465 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -58.98 -51.42 70.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.093 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 18.2 mtp -50.44 -59.62 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 t -48.76 -40.26 28.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.02 -29.81 65.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -90.61 -41.54 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.5 mt -62.04 -33.4 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.962 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.412 ' OE1' ' C ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.753 0.311 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.579 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 5.9 p-90 -65.47 -36.32 83.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.579 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 70.5 mt -61.62 -44.45 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.161 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.6 tpt -40.76 -38.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 25' ' ' ILE . 25.0 p -58.75 -50.59 73.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' HD2' ' CH2' ' A' ' 19' ' ' TRP . 50.2 mtp180 -37.73 -56.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.9 mt -57.72 -32.81 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.763 HG22 HG23 ' A' ' 29' ' ' THR . 4.7 mm -68.93 -50.32 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -38.42 -56.43 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -45.09 -41.59 7.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.562 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.0 mp -76.36 -55.13 5.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.763 HG23 HG22 ' A' ' 25' ' ' ILE . 72.4 p -44.56 -31.03 1.0 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.52 -31.83 47.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 28' ' ' LEU . 81.7 mtp -66.54 -69.18 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 167.59 38.98 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -139.34 144.42 40.08 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.2 Cg_endo -69.79 162.85 40.51 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.641 2.228 . . . . 0.0 112.336 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -72.84 -30.73 64.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.551 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 17.3 mm-40 -41.41 -65.39 0.49 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.645 0.736 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.7 Cg_endo -69.74 -51.01 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.24 . . . . 0.0 112.334 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.676 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -39.75 -31.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -83.27 -60.14 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -50.14 -50.41 48.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.23 -67.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 38' ' ' ALA . 15.2 mt -40.56 -52.59 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -47.81 -42.35 25.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -86.41 -19.85 29.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 45.0 m-80 -92.86 29.09 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 43.48 41.0 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.7 mmt 61.58 51.12 4.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' CB ' ' HB2' ' A' ' 51' ' ' GLN . 9.2 m120 -117.58 131.23 56.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.4 tp -79.78 -56.62 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -41.5 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.44 ' HB2' ' CB ' ' A' ' 48' ' ' ASN . 30.8 mm-40 -67.59 -51.52 49.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.403 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -58.62 -56.13 26.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.561 ' HA ' HD12 ' A' ' 56' ' ' LEU . 49.7 mtp -41.93 -59.64 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.1 t -53.43 -40.08 64.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.14 -27.45 69.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 53' ' ' MET . 4.6 mt -88.64 -37.05 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 58' ' ' GLU . 7.2 mt -73.84 -55.0 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 pp20? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.777 0.322 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.542 ' CE2' HG13 ' A' ' 20' ' ' ILE . 7.9 p-90 -59.27 -33.73 71.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.542 HG13 ' CE2' ' A' ' 19' ' ' TRP . 89.8 mt -64.21 -47.6 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.562 ' CE ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -34.62 -44.52 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' ILE . 6.2 t -56.04 -51.63 67.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' SER . 24.4 mtp180 -35.68 -55.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.17 -39.78 95.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.751 HG22 HG23 ' A' ' 29' ' ' THR . 3.7 mm -59.42 -48.29 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' ILE . 14.3 ttmm -37.62 -56.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.437 ' NE2' ' H ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -42.71 -48.95 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 31' ' ' MET . 10.9 mp -70.83 -53.45 15.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.751 HG23 HG22 ' A' ' 25' ' ' ILE . 44.5 p -42.7 -34.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.54 -29.22 33.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 28' ' ' LEU . 9.9 mtt -65.8 -69.04 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.419 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 170.3 38.86 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 2.3 m-85 -147.3 141.66 16.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.77 157.95 58.61 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.647 2.231 . . . . 0.0 112.369 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -68.4 -30.48 69.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.542 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -41.31 -65.34 0.49 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 110.895 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.653 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.6 Cg_endo -69.74 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.431 ' HA ' HD11 ' A' ' 56' ' ' LEU . . . -46.35 -22.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.471 ' HA ' HD11 ' A' ' 25' ' ' ILE . 15.9 tt0 -86.15 -55.06 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -58.16 -41.88 84.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -62.24 -61.15 2.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 48' ' ' ASN . 29.5 mt -36.74 -55.82 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.533 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 9.0 mtpm? -44.63 -44.29 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' ALA . 20.8 m -81.84 -16.25 51.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.449 ' OD1' ' C ' ' A' ' 51' ' ' GLN . 31.6 m-80 -99.99 33.73 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.6 m120 47.17 35.81 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.533 ' HE3' ' HA ' ' A' ' 43' ' ' LYS . 11.1 mmt 57.77 44.91 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.637 ' O ' HD23 ' A' ' 42' ' ' LEU . 8.5 t-20 -110.43 157.79 19.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.1 tp -93.91 -47.97 6.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -64.22 -37.52 87.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.449 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 18.1 mm-40 -78.2 -41.86 33.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.501 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -63.41 -52.25 62.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.8 mtp -50.06 -58.4 5.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 t -50.27 -29.5 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -69.46 -34.13 73.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.653 HD22 ' HB2' ' A' ' 37' ' ' PRO . 27.0 mt -85.58 -54.16 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.8 mt -48.04 -47.06 33.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.897 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -160.3 106.58 1.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.5 p -93.02 157.57 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.72 163.14 2.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 p -158.77 144.47 16.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.392 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 t -110.34 159.93 17.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.75 -161.63 8.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.24 141.79 15.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.534 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -125.23 164.66 19.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -151.98 176.44 11.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.7 p -135.8 174.27 10.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -51.19 118.64 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.13 165.68 8.81 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -37.74 144.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -92.39 90.28 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.551 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 5.0 m-20 -121.6 122.99 40.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -50.31 -29.26 9.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.09 -62.24 1.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.567 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 7.0 p-90 -58.21 -34.69 70.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.567 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 92.6 mt -64.19 -41.93 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.435 ' HE2' ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -40.42 -43.25 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' ILE . 34.5 t -55.89 -51.46 67.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' SER . 11.8 mtp180 -36.6 -56.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.506 HD13 HD22 ' A' ' 42' ' ' LEU . 24.6 mt -60.85 -36.4 79.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.586 HG22 HG23 ' A' ' 29' ' ' THR . 3.5 mm -64.21 -51.69 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' ILE . 23.9 tptp -35.04 -42.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.496 ' NE2' HD22 ' A' ' 68' ' ' LEU . 9.6 mm100 -65.86 -64.92 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.505 HD12 ' HE1' ' A' ' 31' ' ' MET . 7.5 mp -47.04 -38.15 10.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.586 HG23 HG22 ' A' ' 25' ' ' ILE . 67.6 p -69.43 -32.21 71.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -69.34 -36.38 76.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.505 ' HE1' HD12 ' A' ' 28' ' ' LEU . 17.4 mtm -63.49 -65.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.64 38.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -132.38 145.37 56.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.467 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.3 Cg_endo -69.77 154.96 67.09 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.652 2.234 . . . . 0.0 112.333 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -70.63 -21.3 62.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 3.7 mt-10 -49.2 -64.23 1.28 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.66 0.743 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.566 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.5 Cg_endo -69.76 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.364 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.883 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -48.66 -26.2 2.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -86.24 -31.45 21.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -79.11 -53.6 6.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -57.23 -58.71 7.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 38' ' ' ALA . 9.9 mt -37.1 -63.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.435 ' HG2' ' HE2' ' A' ' 21' ' ' MET . 74.8 mttt -47.83 -33.01 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 41' ' ' ALA . 4.6 t -87.62 -20.29 26.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.814 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 41' ' ' ALA . 51.4 m-80 -94.41 21.77 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 54.6 38.94 30.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.9 mmt 62.26 45.94 6.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -110.25 144.32 39.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.409 ' CD1' ' CD1' ' A' ' 28' ' ' LEU . 11.4 tp -88.28 -63.09 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -52.57 -43.08 65.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -60.93 -54.71 41.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . -59.02 -59.69 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 52' ' ' ALA . 63.9 mtp -37.4 -57.18 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.9 m -58.72 -35.63 72.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -69.98 -23.55 63.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.566 HD22 ' HB2' ' A' ' 37' ' ' PRO . 17.8 mt -89.71 -32.43 17.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.1 mt -80.78 -38.68 28.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' OE2' ' CE ' ' A' ' 59' ' ' LYS . 1.1 pp20? -48.05 -32.82 7.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' CE ' ' OE2' ' A' ' 58' ' ' GLU . 6.8 mmpt? -51.23 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -114.46 141.89 47.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.5 t -87.11 105.13 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -97.9 167.51 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.4 t -76.1 -51.49 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -54.74 161.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -120.57 169.6 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -62.02 173.49 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.78 142.51 3.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.496 HD22 ' NE2' ' A' ' 27' ' ' GLN . 89.2 mt -104.6 107.2 18.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.353 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.429 ' O ' HG22 ' A' ' 71' ' ' THR . . . 44.45 -141.12 3.59 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.458 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.748 HG22 ' HB2' ' A' ' 72' ' ' ASP . 9.0 p -41.94 -36.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.403 . . . . 0.0 111.146 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 69' ' ' GLY . 12.0 t 35.14 40.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.748 ' HB2' HG22 ' A' ' 70' ' ' VAL . 8.6 t0 -94.54 106.48 18.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.482 ' CD2' ' H ' ' A' ' 73' ' ' HIS . 21.7 m-70 -42.82 141.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -134.29 141.99 47.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.09 55.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.418 ' HG3' ' N ' ' A' ' 77' ' ' ALA . 7.4 tpt -123.98 151.11 44.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.418 ' N ' ' HG3' ' A' ' 76' ' ' MET . . . -170.2 111.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.53 104.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 80' ' ' SER . 16.6 tptm -161.01 153.17 20.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 79' ' ' LYS . 78.6 p -140.45 133.53 29.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -127.95 79.75 0.37 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 151.0 68.71 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.313 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.9 m -98.26 167.23 10.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -116.64 -52.21 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.819 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -129.79 147.42 51.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m -145.74 147.68 32.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.24 50.29 0.62 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 m -149.69 135.72 18.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.908 0.385 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -89.17 -46.35 8.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.98 -106.79 0.2 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.91 43.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.439 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.7 mtt -143.25 163.62 32.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.11 41.58 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -123.12 157.39 33.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -166.08 143.77 5.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.07 -71.8 2.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -106.3 161.37 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.681 0.277 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -99.99 159.73 14.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.596 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 47.6 m-20 -134.06 116.74 15.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.783 ' HA ' HD12 ' A' ' 20' ' ' ILE . 36.4 mt-10 -43.52 -34.86 1.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.42 -60.03 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 9.1 p-90 -60.98 -33.51 73.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 17' ' ' GLU . 87.1 mt -62.83 -48.8 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 20' ' ' ILE . 1.9 tpt -34.85 -44.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 25' ' ' ILE . 8.3 t -55.15 -48.88 73.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' ILE . 24.5 mtp85 -38.0 -53.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD12 ' CE ' ' A' ' 21' ' ' MET . 37.4 mt -63.55 -32.78 74.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.514 HG22 HG23 ' A' ' 29' ' ' THR . 3.8 mm -69.11 -43.11 81.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -44.73 -55.45 5.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -47.33 -51.87 18.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.584 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.0 mp -63.0 -59.21 5.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.514 HG23 HG22 ' A' ' 25' ' ' ILE . 25.1 p -46.3 -26.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -75.99 -34.51 59.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.563 ' HE2' ' HA ' ' A' ' 28' ' ' LEU . 32.0 mtm -67.19 -66.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.39 38.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -133.79 143.54 48.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.7 Cg_endo -69.79 160.79 48.41 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.616 2.21 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -71.42 -29.63 65.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 7.6 mt-10 -42.16 -64.79 0.61 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.6 0.714 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.1 Cg_endo -69.77 -50.99 0.41 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.682 2.255 . . . . 0.0 112.306 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.97 -36.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -75.96 -58.05 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -52.95 -56.75 13.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -47.53 -66.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' ALA . 14.2 mt -35.53 -55.64 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -47.41 -42.28 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' ALA . 33.2 t -80.71 -27.34 36.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -88.55 28.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.5 m120 45.81 41.92 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 18.7 mmt 62.44 38.12 13.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -105.46 142.35 35.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.5 tp -87.31 -62.74 1.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -45.88 -42.87 13.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -66.1 -45.0 82.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.23 -59.54 4.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 70.4 mtp -42.85 -44.31 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 t -66.75 -44.91 80.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.18 -34.58 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.148 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 37' ' ' PRO . 6.4 mt -81.08 -39.66 25.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mt -68.98 -35.38 76.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -40.67 -58.93 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -56.7 -60.64 3.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -116.29 102.89 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.7 t -77.61 99.08 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -95.85 165.3 12.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.6 t -68.75 86.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -56.64 108.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -95.38 116.94 29.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.1 ptt85 -75.92 137.62 40.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.38 59.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -44.59 118.51 1.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.66 164.53 27.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.4 t -136.87 133.12 48.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.924 0.392 . . . . 0.0 111.126 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.3 p -123.61 106.18 10.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -131.18 122.28 26.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -145.19 144.63 30.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -59.02 -56.61 20.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.03 111.13 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -142.6 162.19 36.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.311 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -117.21 -47.62 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -151.12 166.01 32.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -116.29 149.63 38.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.2 t 60.92 39.41 16.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.66 -178.39 39.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -11.83 31.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.628 2.219 . . . . 0.0 112.336 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.1 p -114.88 173.65 6.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 m -44.56 -43.55 8.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -157.89 148.07 20.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -167.81 122.79 1.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.16 119.33 0.81 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -146.41 167.96 22.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 t -111.04 157.08 20.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.66 109.77 0.26 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.83 140.44 15.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.526 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.12 102.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -172.73 147.39 1.76 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.7 m -126.05 -50.73 1.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -64.55 86.92 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.41 168.79 36.75 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -49.53 164.72 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.712 0.291 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -67.02 105.99 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.598 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 24.2 m-20 -137.63 118.88 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -45.31 -30.71 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.98 -59.69 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 11.9 p-90 -60.96 -31.56 71.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.534 HG13 ' CE2' ' A' ' 19' ' ' TRP . 29.6 mt -67.56 -40.07 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.1 tpt -40.25 -39.94 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' ILE . 57.9 m -63.03 -45.67 91.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.58 ' HD3' ' CH2' ' A' ' 19' ' ' TRP . 12.9 mtm180 -36.59 -60.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.472 ' HA ' ' NE2' ' A' ' 27' ' ' GLN . 22.5 mt -57.04 -32.03 65.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.714 HG22 HG23 ' A' ' 29' ' ' THR . 2.7 mm -69.45 -48.42 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -43.23 -44.45 5.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.472 ' NE2' ' HA ' ' A' ' 24' ' ' LEU . 2.8 mp0 -56.52 -38.09 71.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' MET . 10.0 mp -80.29 -55.2 5.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.714 HG23 HG22 ' A' ' 25' ' ' ILE . 69.5 p -44.97 -34.69 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -80.6 -26.66 37.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 28' ' ' LEU . 17.4 mtp -69.77 -65.45 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.01 35.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.522 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -139.05 145.26 44.44 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.649 0.738 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.8 Cg_endo -69.75 157.01 61.86 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -68.62 -28.23 66.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -43.18 -64.84 0.65 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.641 0.734 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.8 Cg_endo -69.75 -50.99 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.15 -29.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.043 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -84.81 -49.29 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.1 -51.33 69.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -51.3 -69.27 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' ASN . 84.1 mt -36.28 -63.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' LEU . 18.9 mmtp -37.76 -41.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.3 t -82.66 -33.11 27.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' LEU . 44.6 m-80 -85.4 34.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 41.57 38.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 9.8 mmt 63.78 53.06 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.442 ' O ' HD23 ' A' ' 42' ' ' LEU . 13.1 m120 -118.14 144.21 45.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.407 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.4 tp -86.65 -56.26 3.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.77 -42.66 93.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.411 ' HB2' ' CB ' ' A' ' 48' ' ' ASN . 30.7 mt-30 -68.74 -41.5 78.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.518 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -64.77 -58.61 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 29.2 mtp -38.69 -62.34 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.6 t -46.24 -35.25 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -64.93 -33.49 76.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.085 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' A' ' 37' ' ' PRO . 19.1 mt -84.09 -40.6 18.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' GLU . 8.9 mt -67.16 -55.35 14.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 16.4 pt-20 -35.15 -49.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 35.5 mtpt -35.51 -65.9 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -120.3 143.71 48.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.4 t -82.51 116.51 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.99 174.45 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.9 p -123.24 112.28 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -137.67 167.15 22.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -131.67 122.22 25.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HD2' ' C ' ' A' ' 66' ' ' ARG . 6.0 ppt_? -74.57 174.03 9.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.88 46.63 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.7 tp -83.26 123.33 29.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.352 . . . . 0.0 110.947 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.86 -166.71 54.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 71' ' ' THR . 41.9 t -112.37 -57.16 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 70' ' ' VAL . 66.7 p 35.23 46.12 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -67.0 125.59 26.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -102.65 82.65 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -128.83 155.93 44.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.48 60.62 8.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.445 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.55 80.87 5.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -170.12 175.93 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.081 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -167.34 149.01 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 79' ' ' LYS . 6.0 tmtm? -129.2 126.24 38.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 p -108.92 127.6 54.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 166.27 82.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 102.55 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.281 . . . . 0.0 112.327 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.8 t -62.53 162.45 10.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.5 t -125.53 -41.58 2.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -81.84 -51.83 7.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 m -62.75 134.96 57.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.98 111.77 0.26 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -152.49 162.21 41.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -156.94 158.64 37.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.62 149.86 5.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 148.84 43.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.3 mmt -119.78 123.65 44.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.82 44.81 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' SER . 29.7 m -103.62 85.11 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' THR . 67.0 m -36.13 153.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.89 145.99 16.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.513 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -84.33 102.39 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.679 0.276 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -85.56 -35.86 20.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.578 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 5.8 m-20 -146.96 165.42 29.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -88.08 -30.68 19.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.5 -52.89 62.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 6.3 p-90 -57.76 -36.55 72.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.573 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 74.8 mt -60.64 -47.69 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' ILE . 14.0 tpp -37.45 -45.22 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.5 m -52.24 -47.6 65.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -41.68 -58.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 mt -56.95 -33.94 67.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.557 HG22 HG23 ' A' ' 29' ' ' THR . 5.6 mm -67.21 -50.86 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -43.01 -58.59 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -42.65 -41.89 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.572 ' CD1' HD11 ' A' ' 49' ' ' LEU . 9.2 mp -75.41 -57.33 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.557 HG23 HG22 ' A' ' 25' ' ' ILE . 67.1 p -40.72 -37.1 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.42 -42.08 83.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' LEU . 4.8 mmt -56.33 -59.33 5.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.04 33.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -128.42 144.1 50.69 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.614 0.721 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.469 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.2 Cg_endo -69.74 155.57 65.64 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -68.98 -25.44 64.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.533 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 1.8 mm-40 -45.67 -64.95 0.74 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.618 0.723 . . . . 0.0 110.899 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.533 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.79 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.04 -28.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -82.29 -62.02 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -50.31 -54.11 23.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.22 -63.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.4 mt -42.55 -47.05 5.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.806 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 1.8 mmmp? -55.11 -34.9 64.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.4 m -94.36 -16.38 23.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -99.93 27.48 5.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 43.37 47.36 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.806 ' HE1' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 51.24 53.98 11.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -118.79 123.26 44.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.572 HD11 ' CD1' ' A' ' 28' ' ' LEU . 9.9 tp -67.03 -66.83 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -43.34 -46.93 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -63.98 -49.12 73.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -55.4 -59.49 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.608 ' O ' HD12 ' A' ' 57' ' ' LEU . 31.7 mtp -42.29 -61.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.5 t -57.63 -27.27 62.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -73.63 -23.94 59.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.453 HD22 ' HB2' ' A' ' 37' ' ' PRO . 39.8 mt -92.29 -50.42 5.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 53' ' ' MET . 5.4 mp -57.61 -47.48 82.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' LEU . 9.0 pt-20 -34.58 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' LEU . 3.8 mmmm -91.45 -53.46 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.466 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -113.75 109.4 18.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 61' ' ' VAL . 14.0 p -107.31 120.7 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.148 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.5 p-10 -145.8 157.47 43.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.4 t -77.89 94.78 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.2 174.33 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -39.42 156.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -57.86 162.91 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.45 166.47 25.93 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.2 tp -95.37 137.94 33.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -130.88 148.09 18.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.451 HG22 ' H ' ' A' ' 72' ' ' ASP . 13.7 p -39.92 135.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.383 . . . . 0.0 111.139 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.5 t -117.06 40.15 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.451 ' H ' HG22 ' A' ' 70' ' ' VAL . 27.2 t0 -43.84 -46.19 7.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -45.2 -61.27 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -100.18 115.68 30.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.52 43.78 0.12 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.505 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -120.33 172.96 7.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -121.35 112.75 18.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.32 162.06 13.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -83.88 102.43 12.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.2 m -148.98 162.6 39.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.69 82.69 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 165.96 29.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.5 m -154.58 112.93 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.4 p -104.15 141.19 36.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.516 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 t -146.14 129.51 16.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.364 . . . . 0.0 110.872 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -140.82 111.0 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.86 141.47 6.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -116.39 -52.92 2.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.886 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -118.87 136.78 53.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.57 173.82 20.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.7 -147.91 19.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.7 mtt 55.35 42.37 30.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.377 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 tptm -85.58 115.71 23.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.4 t -119.94 41.85 3.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 m -44.24 -43.88 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.7 -127.99 1.42 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 tptp -52.43 113.59 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -116.54 91.99 3.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.546 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 33.1 m-20 -99.7 170.47 8.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -92.09 -38.57 12.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.29 -49.8 17.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.076 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.581 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.8 p-90 -63.23 -34.13 76.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.581 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 77.3 mt -65.65 -44.96 93.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.44 ' CE ' ' HB2' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -38.9 -40.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 25' ' ' ILE . 30.5 t -58.74 -48.25 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -39.92 -55.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD13 HD22 ' A' ' 42' ' ' LEU . 8.7 mt -55.56 -34.97 65.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.647 HG22 HG23 ' A' ' 29' ' ' THR . 3.2 mm -64.92 -43.9 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -50.66 -26.0 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -74.73 -37.52 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mp -80.68 -45.41 17.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.647 HG23 HG22 ' A' ' 25' ' ' ILE . 60.4 p -51.46 -28.9 14.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.22 -37.12 61.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -72.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.69 32.64 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -130.43 145.56 57.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.478 ' HG2' ' CG ' ' A' ' 37' ' ' PRO . 54.1 Cg_endo -69.75 174.16 9.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' CD ' ' H ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -84.7 -28.06 26.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.537 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 5.6 mt-10 -44.24 -64.69 0.75 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.688 0.756 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.75 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.98 -23.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -88.4 -52.95 4.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 6.1 pt-20 -57.75 -45.88 85.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.45 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -56.85 -58.81 6.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.44 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 33.3 mt -41.14 -54.51 2.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -46.53 -42.81 16.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 38.6 m -81.47 -26.15 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -90.68 30.26 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 43.99 40.21 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.7 mmt 63.3 37.76 10.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -102.29 144.53 30.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -85.56 -67.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.46 -47.24 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -63.87 -38.07 89.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.6 -60.8 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.407 ' HA ' HD12 ' A' ' 56' ' ' LEU . 44.2 mtp -44.29 -62.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 t -47.36 -48.04 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.84 -30.54 23.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.096 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 53' ' ' MET . 3.0 mt -91.44 -61.48 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mt -47.59 -29.27 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' LYS . 2.5 pp20? -50.56 -36.32 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 pttm -39.91 -25.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 58' ' ' GLU . 20.7 tttt -142.0 150.03 40.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 61' ' ' VAL . 6.0 p -73.44 101.13 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -133.52 -175.08 3.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.16 112.42 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -58.78 130.79 48.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' ARG . 16.0 mmtp -63.67 128.59 36.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -34.59 -50.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 143.33 152.79 5.73 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.62 170.27 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.361 . . . . 0.0 110.931 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.59 179.06 27.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.1 t -48.35 123.22 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.572 HG22 ' OD1' ' A' ' 72' ' ' ASP . 49.9 m -47.21 140.61 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.572 ' OD1' HG22 ' A' ' 71' ' ' THR . 7.1 p-10 41.64 43.7 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -64.68 -56.79 11.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -69.4 -52.72 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 145.11 -47.55 0.75 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.2 ttm 56.22 42.53 27.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.329 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 64.16 45.19 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.11 -45.87 15.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -107.78 -44.77 4.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.9 t -58.12 -48.93 78.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.22 -158.15 35.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 129.72 18.09 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.8 p -165.04 164.21 20.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.9 p 43.15 42.0 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -106.83 95.51 5.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 t -78.13 -48.45 15.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.5 49.76 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p -61.54 146.48 48.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -69.59 130.98 43.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.21 -48.42 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.541 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.24 94.1 0.26 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.485 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.1 ptp -72.05 -47.26 52.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -56.34 118.67 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.8 t -84.66 139.88 31.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.214 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.0 p -115.27 91.58 3.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.98 -176.73 39.78 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 9.2 ptpt -127.21 157.03 40.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.752 0.31 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 14' ' ' LYS . 1.2 mp0 -125.54 -33.41 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.588 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 23.7 m-20 -145.44 172.03 13.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.607 ' HA ' HD12 ' A' ' 20' ' ' ILE . 12.2 pt-20 -94.31 -32.95 13.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.15 -52.31 45.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 7.0 p-90 -54.84 -35.54 64.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 17' ' ' GLU . 86.7 mt -62.92 -48.41 88.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.608 ' HE2' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -35.63 -43.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.8 m -56.52 -47.92 78.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' ILE . 29.3 mtp180 -39.79 -57.74 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.0 mt -57.37 -42.1 81.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.481 HG22 HG23 ' A' ' 29' ' ' THR . 7.6 mm -54.26 -50.98 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 27' ' ' GLN . 42.5 tptt -41.21 -61.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' LYS . 15.2 mm100 -38.01 -38.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' MET . 11.0 mp -79.8 -52.46 7.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.481 HG23 HG22 ' A' ' 25' ' ' ILE . 60.6 p -44.62 -29.54 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -80.26 -32.25 38.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' LEU . 17.4 mtt -65.23 -66.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.71 37.55 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -140.61 142.91 30.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.47 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.73 166.18 28.44 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.337 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -75.1 -32.38 61.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.543 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.2 mt-10 -40.13 -65.1 0.47 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.694 0.759 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.9 Cg_endo -69.71 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.496 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -45.25 -22.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.437 ' HA ' HD11 ' A' ' 25' ' ' ILE . 11.2 tt0 -90.3 -55.04 3.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 6.1 pt-20 -54.98 -43.5 73.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -62.13 -60.87 2.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.608 HD13 ' HE2' ' A' ' 21' ' ' MET . 26.6 mt -36.04 -54.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -47.0 -43.25 19.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ALA . 48.7 m -83.89 -17.8 39.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -94.91 32.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 41.4 34.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 11.3 mmt 62.52 51.88 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -118.96 148.68 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 tp -87.99 -59.84 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -53.48 -42.42 67.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -66.91 -49.34 65.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.41 -56.12 26.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 20.2 mtp -45.93 -61.39 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.8 t -50.85 -40.9 57.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.26 -34.21 70.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 mt -84.01 -40.47 18.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.3 -45.24 94.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -47.81 -59.28 3.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -53.96 -59.29 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -67.83 171.45 6.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.9 p -102.56 127.89 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -111.75 169.84 8.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.3 t -125.66 -44.31 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.12 137.91 38.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -57.41 146.07 30.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.4 ttt85 -159.22 152.11 21.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 178.42 -176.37 47.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.02 -53.72 41.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.08 -116.12 0.62 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.3 p -91.84 145.56 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.944 0.402 . . . . 0.0 111.099 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.7 t -52.98 141.38 22.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -42.68 104.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -56.56 163.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -167.21 131.26 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.14 143.86 8.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.8 ptm -133.48 161.92 33.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -174.77 136.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -173.61 154.27 2.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -114.7 -46.51 2.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 t -63.4 -51.09 67.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 50.41 -179.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 132.23 22.8 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.644 2.23 . . . . 0.0 112.347 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.7 t -67.46 -44.67 78.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.5 t -127.21 123.94 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 t -93.27 114.17 26.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.923 0.392 . . . . 0.0 110.818 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 m -147.86 122.62 9.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.27 73.88 1.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -91.45 -61.44 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -49.71 -61.49 2.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.63 -98.01 2.39 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.71 140.92 3.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.507 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.0 mtm -96.67 170.43 9.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.357 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.69 139.65 19.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.1 m -146.6 147.55 31.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.182 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -92.61 147.3 22.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.436 ' O ' ' CE2' ' A' ' 19' ' ' TRP . . . 123.68 178.05 15.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -94.77 51.34 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.729 0.299 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.512 ' OE1' ' CD1' ' A' ' 19' ' ' TRP . 0.3 OUTLIER -78.5 -34.12 47.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.562 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 7.1 t70 -138.12 170.78 15.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.664 ' HA ' HD12 ' A' ' 20' ' ' ILE . 14.4 tt0 -94.17 -36.26 12.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.53 -52.3 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.588 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 6.6 p-90 -56.15 -35.96 67.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 17' ' ' GLU . 85.6 mt -62.2 -49.36 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -34.41 -44.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' ARG . 24.1 t -54.41 -49.72 69.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' ILE . 22.4 mtp85 -37.58 -58.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.1 mt -57.02 -38.31 72.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.658 HG22 HG23 ' A' ' 29' ' ' THR . 11.1 mm -61.47 -52.97 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ILE . 43.9 tptt -36.54 -62.46 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -38.36 -43.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' MET . 10.0 mp -74.52 -58.59 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.658 HG23 HG22 ' A' ' 25' ' ' ILE . 58.3 p -39.33 -36.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.95 -40.49 78.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 28' ' ' LEU . 9.7 mtt -57.48 -64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.76 36.1 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -132.39 142.72 45.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.684 0.754 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.74 157.27 61.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -68.22 -29.38 68.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.536 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -42.15 -64.7 0.63 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.925 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.574 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.83 -50.96 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.298 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.445 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -42.91 -40.57 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.442 ' HA ' HD11 ' A' ' 25' ' ' ILE . 44.1 tt0 -72.3 -48.42 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -59.91 -59.28 5.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -46.33 -64.66 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 45' ' ' ASN . 16.1 mt -35.53 -64.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HA ' ' CE ' ' A' ' 47' ' ' MET . 32.4 mttp -38.87 -39.55 0.54 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 41' ' ' ALA . 16.2 m -83.16 -31.75 26.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' LEU . 59.9 m-80 -86.49 34.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 41.52 36.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.431 ' SD ' ' CE ' ' A' ' 21' ' ' MET . 12.1 mmt 65.56 46.72 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -110.71 152.66 26.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.2 tp -91.93 -61.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -54.77 -42.48 71.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -64.13 -47.57 79.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.52 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -63.79 -60.62 3.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 55.7 mtp -38.38 -64.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -48.81 -35.57 14.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -64.63 -34.71 78.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.574 HD22 ' HB2' ' A' ' 37' ' ' PRO . 16.5 mt -83.92 -38.64 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' GLU . 6.8 mt -70.1 -53.71 16.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.451 ' OE2' ' CG ' ' A' ' 59' ' ' LYS . 2.0 pp20? -34.84 -44.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' CG ' ' OE2' ' A' ' 58' ' ' GLU . 22.3 mtmm -45.09 -59.79 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -102.02 153.5 19.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.1 t -93.7 113.85 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -154.28 150.69 28.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.2 t -109.62 91.98 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -120.42 157.2 29.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -50.39 172.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 66' ' ' ARG . 9.6 mpt_? -90.74 75.35 6.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.3 179.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.841 HD22 ' N ' ' A' ' 69' ' ' GLY . 0.0 OUTLIER -73.99 159.37 32.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.348 . . . . 0.0 110.934 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.841 ' N ' HD22 ' A' ' 68' ' ' LEU . . . 77.28 140.1 1.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.451 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m -70.34 170.82 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.6 t -130.35 -31.05 1.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -93.99 125.85 38.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -93.17 104.04 16.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -143.66 118.56 9.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.88 46.67 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.9 mmm -51.73 132.0 30.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.45 160.45 31.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.33 160.21 43.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -165.25 142.11 5.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.5 t -135.9 169.38 17.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -149.83 83.43 0.17 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -176.36 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.374 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.6 t -154.15 142.3 20.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.5 p -84.87 -46.62 11.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 p -43.42 -47.16 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -120.11 -56.4 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.29 110.06 2.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 m -54.71 170.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -119.05 -57.33 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.0 -97.57 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.68 45.21 0.99 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.479 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 tpt -96.66 119.9 36.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 10' ' ' LYS . 3.0 pptp? -91.34 160.61 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.7 p -123.39 146.1 48.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.8 m -55.87 162.69 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.54 -112.17 4.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.536 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 15' ' ' GLN . 0.7 OUTLIER -42.17 142.0 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.746 0.308 . . . . 0.0 110.908 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.457 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 17.3 mt-30 -85.26 99.6 11.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.546 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 32.1 m-20 -89.27 174.22 7.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -92.21 -34.07 14.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.64 -52.81 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.551 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 7.8 p-90 -55.93 -34.07 65.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.551 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 86.5 mt -65.1 -47.5 87.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.529 ' CE ' HD12 ' A' ' 24' ' ' LEU . 1.4 tpt -35.59 -42.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' ILE . 22.5 t -57.59 -49.71 75.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' ILE . 31.0 mtp180 -37.17 -54.35 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.529 HD12 ' CE ' ' A' ' 21' ' ' MET . 26.1 mt -61.58 -39.54 91.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.563 HG22 HG23 ' A' ' 29' ' ' THR . 9.5 mm -57.22 -48.05 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -42.11 -63.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -38.26 -46.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.18 -56.22 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.563 HG23 HG22 ' A' ' 25' ' ' ILE . 70.5 p -51.01 -18.1 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.8 -29.14 24.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 13.8 mtt -72.55 -56.27 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.79 38.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -134.18 143.5 47.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.671 0.748 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 54.1 Cg_endo -69.73 156.67 62.8 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.753 2.302 . . . . 0.0 112.324 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -69.32 -26.66 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.6 mm-40 -44.6 -65.17 0.66 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.657 0.741 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 54.0 Cg_endo -69.74 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.472 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -41.99 -39.07 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HA ' HD11 ' A' ' 25' ' ' ILE . 12.9 tt0 -73.45 -49.63 25.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.07 -58.76 7.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -43.99 -65.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.515 HD13 ' CE ' ' A' ' 21' ' ' MET . 19.3 mt -35.3 -59.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.0 mmtt -43.67 -41.13 4.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' ALA . 20.3 m -81.29 -27.95 34.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -90.42 30.52 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 45.52 38.39 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.476 ' CE ' ' SD ' ' A' ' 21' ' ' MET . 11.4 mmt 64.23 40.37 6.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -104.95 142.01 35.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.9 tp -82.96 -66.32 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.4 -45.56 17.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.802 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -65.44 -47.23 76.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.14 -58.73 7.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 28.8 mtp -43.53 -59.68 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 t -52.29 -47.21 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.55 -31.59 36.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.5 HD22 ' HB2' ' A' ' 37' ' ' PRO . 17.1 mt -86.16 -57.33 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.3 mt -46.66 -43.36 17.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -60.81 -59.2 5.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -51.9 -50.3 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -102.89 105.59 15.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 61' ' ' VAL . 7.8 p -75.07 117.17 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -139.36 164.64 29.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.6 t -87.72 103.46 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -164.37 148.18 9.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.6 113.73 25.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -58.36 142.36 48.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.84 107.68 1.8 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.4 tp -71.35 97.31 1.57 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.04 56.14 2.24 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 m -79.27 114.01 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 111.152 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.3 p -147.07 173.43 12.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.43 139.92 40.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -156.66 159.38 38.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 73' ' ' HIS . 2.9 p-10 38.18 40.2 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.78 142.49 14.69 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.9 tmm? -84.99 115.81 23.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.74 0.305 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.74 107.86 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.84 119.58 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.43 ' HE2' ' C ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -40.92 97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.2 p -151.08 127.4 10.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 174.17 83.36 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 171.52 14.26 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.746 2.297 . . . . 0.0 112.302 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -146.84 119.52 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.5 p -89.7 171.03 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 t -67.17 99.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -92.84 126.69 38.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.36 -113.67 5.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -139.31 142.75 37.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 110.872 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -71.05 -53.82 13.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.69 155.07 8.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.62 -140.44 16.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 33.9 ttm 67.55 41.9 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -83.17 99.8 10.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.6 m -47.49 144.57 2.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.0 p -106.99 -53.01 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.74 -172.58 36.33 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -152.22 142.64 22.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.717 0.294 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -131.9 -33.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.593 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 5.8 m-20 -151.94 172.28 16.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -93.72 -32.64 13.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.34 -47.41 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.593 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 6.2 p-90 -62.27 -35.86 80.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.581 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 90.4 mt -62.39 -41.02 90.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.629 ' HE1' ' HB2' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -42.54 -39.6 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' ILE . 3.4 p -58.09 -51.54 69.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' SER . 18.7 mtp85 -37.53 -52.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.02 -40.33 97.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.519 HD11 ' HA ' ' A' ' 39' ' ' GLU . 4.6 mm -59.71 -50.47 79.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -42.88 -58.99 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -41.22 -38.03 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.586 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.7 mp -79.97 -52.99 7.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.482 HG23 HG22 ' A' ' 25' ' ' ILE . 67.9 p -43.16 -37.58 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -71.51 -34.78 70.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' LEU . 19.8 mtt -62.35 -65.39 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.451 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 161.02 41.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.451 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 8.9 m-85 -141.81 143.7 29.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.675 0.75 . . . . 0.0 110.844 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.475 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.8 Cg_endo -69.81 159.06 54.76 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -70.27 -28.55 65.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.529 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 3.4 mm-40 -42.87 -64.47 0.72 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.699 0.762 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.529 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.77 -50.91 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.808 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -47.67 -20.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.519 ' HA ' HD11 ' A' ' 25' ' ' ILE . 11.1 tp10 -87.74 -56.56 3.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 4.6 pt-20 -59.73 -47.59 85.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.489 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -50.63 -64.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.808 HD12 ' O ' ' A' ' 38' ' ' ALA . 21.3 mt -43.19 -65.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HG2' ' CE ' ' A' ' 21' ' ' MET . 2.4 mmmp? -42.04 -25.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' LEU . 1.3 t -95.14 -29.82 14.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' LEU . 49.6 m-80 -92.05 25.75 2.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 m120 57.54 40.96 26.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.419 ' N ' ' SD ' ' A' ' 47' ' ' MET . 8.7 mmm 60.11 44.4 13.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.775 ' O ' HD23 ' A' ' 42' ' ' LEU . 3.0 m-20 -107.13 148.74 28.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.586 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.2 tp -92.86 -59.45 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -55.51 -44.09 76.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -64.71 -47.96 76.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' MET . . . -61.92 -59.52 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.577 ' HA ' HD12 ' A' ' 56' ' ' LEU . 42.9 mtp -35.07 -59.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.9 t -50.76 -52.85 36.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.49 -16.79 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 53' ' ' MET . 21.6 mt -92.43 -47.21 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 53' ' ' MET . 5.3 mp -66.1 -38.59 88.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' LEU . 8.9 mt-10 -37.88 -46.56 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 mtpt -40.03 -59.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -140.03 149.4 43.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.7 t -93.12 101.71 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.27 169.62 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.3 p -104.77 108.78 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.13 134.17 52.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -44.74 146.65 0.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -141.04 150.51 43.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 129.77 73.23 0.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.29 -61.81 2.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -44.75 136.09 6.37 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.45 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 70' ' ' VAL . 34.4 m -85.44 123.32 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 111.107 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.7 m -76.95 124.52 27.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -145.01 167.84 21.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -114.15 155.07 26.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -131.97 -55.72 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.59 93.82 1.83 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -165.79 148.25 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -132.48 -56.18 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 41.85 38.46 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -72.53 80.05 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.6 t -116.77 142.48 46.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 163.64 75.71 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.531 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 119.63 6.55 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.0 p -110.44 96.75 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 m -110.58 157.85 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -106.75 127.96 53.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.858 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -151.84 156.19 39.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.57 -115.93 0.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.431 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -132.25 168.49 17.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 m -95.44 127.2 41.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.59 116.7 0.55 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 168.82 58.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.1 ttp -78.37 112.21 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -84.93 143.15 29.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.4 t -98.44 134.53 41.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.191 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.2 t -76.75 137.65 39.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.01 -41.33 14.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -140.65 143.46 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -89.57 100.79 13.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.546 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 5.7 m-20 -129.95 116.73 19.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.72 -32.18 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.22 -59.88 3.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.546 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 8.2 p-90 -61.28 -33.99 74.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.514 HG13 ' CE2' ' A' ' 19' ' ' TRP . 67.3 mt -63.5 -45.89 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' ILE . 18.9 tpp -37.08 -43.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' ARG . 4.4 m -56.84 -49.9 74.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' SER . 36.3 mtp180 -36.72 -59.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.8 mt -58.73 -38.8 79.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.561 HG22 HG23 ' A' ' 29' ' ' THR . 5.0 mm -60.5 -52.27 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -41.03 -60.8 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -40.47 -40.96 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.5 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 10.0 mp -76.76 -51.97 10.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.561 HG23 HG22 ' A' ' 25' ' ' ILE . 58.9 p -47.93 -24.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -84.66 -31.23 24.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.5 ' HE2' ' HA ' ' A' ' 28' ' ' LEU . 62.1 mtm -66.75 -64.92 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.66 39.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -137.84 144.02 42.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.711 0.767 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.473 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 54.5 Cg_endo -69.74 157.34 60.76 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.0 ptt-85 -70.07 -26.47 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.4 mt-10 -44.79 -65.11 0.67 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.683 0.754 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.4 Cg_endo -69.8 -50.83 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.91 -25.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -85.13 -61.08 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 7.3 pt-20 -51.09 -46.69 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -53.6 -68.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 45' ' ' ASN . 94.0 mt -39.07 -56.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' HD2' ' HE1' ' A' ' 47' ' ' MET . 8.8 mmmm -42.24 -38.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -94.04 -19.89 20.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' LEU . 71.2 m-80 -96.55 24.88 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.0 m120 44.14 49.71 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.493 ' N ' ' SD ' ' A' ' 47' ' ' MET . 0.0 OUTLIER 48.57 54.54 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 37.3 m-20 -115.07 130.53 56.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 tp -77.43 -56.27 4.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -55.6 -41.4 73.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.424 ' HB2' ' CB ' ' A' ' 48' ' ' ASN . 39.2 mm-40 -73.43 -47.3 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 48' ' ' ASN . . . -56.22 -52.22 65.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.6 mtp -47.77 -59.71 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 t -51.24 -43.44 61.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.48 -31.4 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 mt -88.26 -42.29 12.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.663 ' HA ' HG12 ' A' ' 61' ' ' VAL . 7.7 mt -60.65 -31.07 70.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.73 -29.75 4.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 60' ' ' LYS . 19.5 mmtm -84.66 34.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 36.59 39.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 57' ' ' LEU . 7.7 p -72.02 116.38 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -55.83 156.24 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -144.51 120.61 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -49.02 176.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -78.09 -37.13 47.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -80.34 134.95 36.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -101.45 -135.89 9.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 68' ' ' LEU . 4.6 pp -106.85 146.52 30.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.851 0.358 . . . . 0.0 110.956 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.77 179.36 23.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.6 t -98.47 103.9 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.961 0.41 . . . . 0.0 111.12 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 72' ' ' ASP . 25.4 m -147.99 154.87 40.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' N ' HG22 ' A' ' 71' ' ' THR . 0.9 OUTLIER -90.31 125.76 35.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -60.16 -59.1 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -78.53 81.53 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.66 55.13 3.76 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 28.5 mtt -151.18 105.35 3.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.53 82.25 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.97 113.61 19.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.072 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.41 169.53 10.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 p -158.24 120.56 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 52.0 67.9 1.81 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 0.74 5.19 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.261 . . . . 0.0 112.391 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.8 t 66.79 37.63 4.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.2 m -110.33 114.22 27.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 m -154.73 126.55 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 m -108.82 165.15 11.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.51 128.47 2.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 p -166.58 172.63 10.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.825 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -142.49 158.23 43.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.12 139.84 3.81 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.2 -158.89 16.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.8 ttt -82.39 43.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -48.47 -60.28 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.5 m -126.72 124.83 40.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.6 p -86.09 151.61 23.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.16 -71.32 0.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -65.9 84.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.715 0.293 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -40.79 149.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.441 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 52.5 m-20 -131.33 173.51 10.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -91.3 -33.19 15.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.08 -53.43 50.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.535 ' CE2' HG13 ' A' ' 20' ' ' ILE . 7.5 p-90 -59.57 -34.43 72.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.535 HG13 ' CE2' ' A' ' 19' ' ' TRP . 74.4 mt -63.72 -48.27 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.132 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' ILE . 9.0 tpp -34.74 -44.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' ILE . 3.7 m -54.89 -50.89 67.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ILE . 17.8 mtp85 -38.2 -56.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.7 mt -58.24 -37.46 74.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.541 HG22 ' CG2' ' A' ' 29' ' ' THR . 4.2 mm -64.95 -50.97 72.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.8 tttt -43.18 -51.67 5.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -48.74 -35.17 13.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.505 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.1 mp -83.52 -50.5 8.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.541 ' CG2' HG22 ' A' ' 25' ' ' ILE . 24.3 p -48.0 -24.49 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -84.12 -34.0 24.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 15.0 mtt -63.95 -64.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 161.53 40.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 10.8 m-85 -140.66 143.82 33.82 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 54.0 Cg_endo -69.74 156.86 62.32 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.679 2.253 . . . . 0.0 112.398 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -68.99 -27.67 65.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.543 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 1.9 mm-40 -43.75 -65.34 0.6 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.645 0.736 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.552 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.9 Cg_endo -69.75 -50.94 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.7 -25.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' PRO . 12.2 tt0 -84.23 -62.48 1.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 5.8 pt-20 -50.26 -43.86 53.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -57.23 -68.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' ALA . 72.3 mt -34.87 -49.91 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.761 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 19.0 mmtp -46.37 -46.39 18.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ALA . 23.3 t -87.03 -20.29 27.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.458 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 46.9 m-80 -91.82 16.03 11.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 63.1 t30 53.43 47.35 24.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.761 ' HE1' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER 48.43 50.31 16.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.25 148.43 42.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 28' ' ' LEU . 7.9 tp -86.75 -47.28 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.7 -37.62 84.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.421 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 17.7 mm100 -79.9 -40.07 29.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -65.55 -51.39 60.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.623 ' O ' HD12 ' A' ' 57' ' ' LEU . 48.8 mtp -49.82 -62.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 t -52.31 -36.43 53.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.91 -28.36 69.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.552 HD22 ' HB2' ' A' ' 37' ' ' PRO . 60.4 mt -92.31 -51.23 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 53' ' ' MET . 5.4 mp -56.49 -46.69 80.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 pp20? -34.83 -39.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -42.51 -49.32 5.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -110.04 176.33 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 61' ' ' VAL . 6.0 p -75.28 117.47 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -49.42 133.26 20.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.475 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.1 p -129.27 121.4 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 63' ' ' VAL . 1.0 OUTLIER -35.7 117.43 0.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.6 177.32 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -86.39 86.1 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -47.99 146.51 4.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.476 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.788 ' H ' HD12 ' A' ' 68' ' ' LEU . 5.0 mp -49.36 101.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.57 118.38 4.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.517 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.557 HG12 HG23 ' A' ' 71' ' ' THR . 88.5 t -79.21 -49.67 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 111.106 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.557 HG23 HG12 ' A' ' 70' ' ' VAL . 33.1 p -144.66 145.84 31.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -98.28 -48.88 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -148.71 116.63 6.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -94.6 92.9 7.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.27 61.04 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.0 tpt -119.14 98.43 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.736 0.303 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -172.47 134.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.05 154.6 47.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -148.69 155.81 41.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 m -164.41 117.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -176.14 146.31 8.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.543 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 175.39 8.19 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.6 m -91.69 170.08 10.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.1 m -129.8 170.28 14.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -141.47 145.48 35.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.4 p -171.06 127.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.18 84.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.512 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -111.66 109.24 19.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 p -145.43 169.31 18.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.53 -99.4 0.72 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.56 131.0 6.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.528 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -60.12 125.25 22.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -63.18 108.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 t -47.73 -31.65 4.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t -106.91 154.93 20.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 145.65 134.46 2.69 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -66.74 146.51 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.677 0.275 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -70.11 117.21 11.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.423 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 14.8 t70 -101.12 171.37 7.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' HA ' HD12 ' A' ' 20' ' ' ILE . 67.0 mm-40 -91.47 -34.64 14.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.53 -53.12 32.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.57 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 8.5 p-90 -61.32 -35.25 76.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.57 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 91.2 mt -63.28 -47.59 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.476 ' CE ' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -35.6 -43.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.84 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.7 m -56.99 -49.72 74.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.794 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' ILE . 13.1 mtp180 -39.61 -57.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.7 mt -57.67 -39.17 76.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.633 HG22 HG23 ' A' ' 29' ' ' THR . 3.5 mm -61.27 -56.58 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -35.51 -59.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -41.34 -43.67 2.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.423 ' CD1' HD11 ' A' ' 49' ' ' LEU . 8.5 mp -74.29 -51.84 14.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.633 HG23 HG22 ' A' ' 25' ' ' ILE . 39.6 p -51.58 -21.94 2.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -84.91 -25.44 27.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.0 mtm -73.71 -69.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.13 30.16 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -131.59 145.99 59.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.485 ' HG2' ' CG ' ' A' ' 37' ' ' PRO . 53.4 Cg_endo -69.77 178.53 4.48 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.306 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -25.78 21.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.542 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 5.8 mt-10 -46.73 -64.97 0.78 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.542 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.83 -50.87 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.267 . . . . 0.0 112.344 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.84 -24.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -87.6 -56.97 3.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -53.24 -40.49 64.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -60.36 -71.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 41' ' ' ALA . 58.0 mt -34.71 -49.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' HA ' ' HE1' ' A' ' 47' ' ' MET . 32.5 mttp -43.76 -47.72 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' ALA . 6.1 t -89.42 -21.18 23.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -90.39 27.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.9 m120 42.33 45.73 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.499 ' N ' ' SD ' ' A' ' 47' ' ' MET . 0.0 OUTLIER 50.66 53.56 12.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -112.83 132.81 55.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.423 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.3 tp -76.2 -62.21 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -50.04 -45.04 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -64.79 -51.51 61.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.8 -57.01 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 60.3 mtp -44.47 -53.99 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.8 t -58.95 -35.7 73.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.3 -36.3 83.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 37' ' ' PRO . 8.2 mt -82.11 -39.21 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mt -64.73 -47.83 76.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -39.65 -53.83 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -38.58 -48.2 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -110.44 109.37 19.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.9 t -81.74 115.27 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -120.82 177.37 5.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.8 t -100.06 -59.53 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.38 167.61 12.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -160.82 163.86 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -116.48 -53.67 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.97 151.55 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.0 mt -47.6 170.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.793 0.33 . . . . 0.0 110.937 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.25 62.87 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.524 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.8 p -139.56 143.94 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 111.187 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.4 m -84.21 122.32 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -145.68 137.32 25.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -135.19 122.33 21.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -148.68 176.71 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -123.72 124.87 5.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.2 tpt -86.39 -56.22 3.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.736 0.303 . . . . 0.0 110.845 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.28 42.57 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.46 97.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -144.91 171.21 14.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.2 m -117.18 166.29 12.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -111.25 83.18 0.32 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -174.8 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.682 2.254 . . . . 0.0 112.326 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -151.57 145.61 25.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.9 p -125.64 174.42 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 p -104.57 159.88 15.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.824 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -62.01 -58.27 8.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.85 -93.45 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.7 p -174.44 140.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 110.897 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -145.15 158.42 43.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.82 72.66 2.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.37 97.67 1.08 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.8 ttt -172.36 151.7 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? 60.63 41.74 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' SER . 69.6 p -102.32 85.82 2.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' THR . 75.2 m -38.04 154.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.93 -64.59 2.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -70.94 172.97 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.712 0.291 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -96.53 87.76 4.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.588 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 20.0 m-20 -91.22 169.01 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -93.8 -24.77 17.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.47 -44.57 96.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 6.8 p-90 -63.32 -34.78 78.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.576 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 85.1 mt -64.26 -46.51 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.45 ' CE ' ' HE1' ' A' ' 47' ' ' MET . 0.2 OUTLIER -38.48 -40.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -59.0 -44.35 91.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' ILE . 29.6 mtp180 -44.72 -49.03 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.8 mt -65.02 -30.05 71.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.495 HG22 HG23 ' A' ' 29' ' ' THR . 7.5 mm -67.06 -47.85 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.1 tttp -41.3 -61.31 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -41.17 -52.08 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mp -62.98 -50.41 70.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.495 HG23 HG22 ' A' ' 25' ' ' ILE . 62.0 p -56.42 -20.64 20.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.08 -15.15 34.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 71.1 mtp -85.5 -64.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 165.59 39.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.534 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 14.4 m-85 -141.19 143.03 29.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.627 0.727 . . . . 0.0 110.94 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.3 Cg_endo -69.77 163.15 39.36 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.718 2.279 . . . . 0.0 112.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.4 ptt-85 -71.95 -32.75 67.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.55 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.1 mt-10 -39.79 -65.53 0.42 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.7 Cg_endo -69.8 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.329 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.41 -40.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -78.52 -56.08 4.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.62 -59.03 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.447 ' HB1' ' ND2' ' A' ' 45' ' ' ASN . . . -51.92 -63.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' ALA . 18.2 mt -35.02 -60.07 0.47 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' CG ' ' HE1' ' A' ' 21' ' ' MET . 21.2 mtpt -43.8 -48.06 8.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.9 m -77.82 -20.89 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.447 ' ND2' ' HB1' ' A' ' 41' ' ' ALA . 68.4 m-80 -94.35 30.97 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 m120 42.2 36.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.45 ' HE1' ' CE ' ' A' ' 21' ' ' MET . 11.3 mmt 65.54 43.48 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -106.43 137.08 45.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -82.67 -63.86 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -48.55 -45.6 37.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -66.23 -42.76 88.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.411 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -62.65 -59.57 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 58.3 mtp -43.12 -59.72 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.8 t -53.84 -38.37 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.76 -23.41 67.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' A' ' 37' ' ' PRO . 52.6 mt -91.75 -53.39 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 58' ' ' GLU . 7.8 mt -55.73 -53.33 57.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.5 pp20? -34.86 -37.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.458 ' CB ' ' HE3' ' A' ' 60' ' ' LYS . 1.0 OUTLIER -54.83 -50.39 68.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.458 ' HE3' ' CB ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -90.96 130.43 36.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 61' ' ' VAL . 8.2 p -102.27 115.95 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -133.95 173.48 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.1 t -85.41 -47.79 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -93.12 142.08 27.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -95.9 149.95 20.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -96.0 170.14 9.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -153.07 167.35 31.73 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.0 mt -60.57 155.67 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.2 87.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.1 t -82.42 146.96 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.382 . . . . 0.0 111.117 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.6 t -163.12 163.3 25.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -122.05 -58.3 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -149.72 120.96 7.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -74.97 85.83 2.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.79 -158.27 37.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.444 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.7 ttt -136.85 139.0 41.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.82 86.91 4.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -44.3 -46.07 9.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 tptm 54.59 41.7 31.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 t -99.77 92.61 5.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.21 82.12 0.35 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 142.4 47.7 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.665 2.243 . . . . 0.0 112.346 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.1 m -134.13 170.11 16.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.9 m -58.88 -46.33 88.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.6 p -144.05 133.91 23.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 m -97.54 175.25 6.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.61 158.24 27.91 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -153.32 159.66 42.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -139.26 174.99 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.96 -177.37 40.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.77 157.13 33.79 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -165.08 161.76 19.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -147.48 174.86 11.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -125.03 141.65 51.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 m -106.28 42.0 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.48 127.38 0.72 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.529 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -143.4 178.68 7.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.54 178.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.529 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 63.0 m-20 -91.64 166.89 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HA ' HD12 ' A' ' 20' ' ' ILE . 9.5 mt-10 -94.03 -25.36 17.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.2 -55.15 38.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.574 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 5.9 p-90 -49.81 -36.84 27.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.574 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 97.4 mt -60.31 -45.34 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.473 ' SD ' HD13 ' A' ' 42' ' ' LEU . 1.4 tpp -38.86 -42.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 23' ' ' ARG . 3.7 p -54.61 -51.76 64.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' SER . 35.1 mtp180 -36.32 -57.68 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.452 HD13 HD22 ' A' ' 42' ' ' LEU . 22.0 mt -57.62 -40.52 79.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.545 HG22 HG23 ' A' ' 29' ' ' THR . 13.1 mm -56.19 -54.79 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -36.24 -61.58 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -41.99 -54.34 3.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 9.9 mp -61.0 -54.67 42.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.545 HG23 HG22 ' A' ' 25' ' ' ILE . 82.3 p -51.81 -27.97 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.3 -25.9 46.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.465 ' HE2' ' HA ' ' A' ' 28' ' ' LEU . 39.1 mtm -74.68 -59.88 2.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.27 39.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -138.06 143.57 40.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.677 0.751 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.468 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.76 160.04 51.19 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.667 2.245 . . . . 0.0 112.387 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 ptt85 -71.07 -29.29 65.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.544 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 5.5 mm-40 -42.45 -65.41 0.54 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.636 0.731 . . . . 0.0 110.859 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.8 Cg_endo -69.73 -50.98 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.316 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.789 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -41.47 -35.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.078 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -76.89 -56.92 4.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -54.81 -56.01 24.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -47.23 -68.05 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 38' ' ' ALA . 8.8 mt -35.03 -65.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -41.07 -38.62 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 41' ' ' ALA . 29.8 m -81.13 -31.97 33.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.808 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' LEU . 60.8 m-80 -85.32 26.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 49.44 46.04 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 2.4 mmt 57.13 46.31 19.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -112.8 139.04 48.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.3 tp -86.85 -61.32 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -50.43 -44.13 55.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -62.6 -47.64 82.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' MET . . . -61.58 -60.7 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.45 ' HE1' ' HB3' ' A' ' 68' ' ' LEU . 67.3 mtp -35.58 -47.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.9 p -67.69 -45.11 76.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -57.44 -34.46 68.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.403 HD22 ' HB2' ' A' ' 37' ' ' PRO . 4.8 mt -83.23 -46.07 13.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' GLU . 10.7 mt -58.15 -46.28 85.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' LEU . 3.1 mm-40 -38.45 -60.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -40.27 -52.19 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -102.81 102.26 12.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.952 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.9 t -85.2 107.71 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.18 130.91 43.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 p -41.66 -35.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -120.5 128.48 53.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -75.17 103.66 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -121.11 98.43 5.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -139.82 -120.13 1.72 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.45 ' HB3' ' HE1' ' A' ' 53' ' ' MET . 21.5 tp -151.15 147.92 27.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.32 114.96 3.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 70' ' ' VAL . 13.1 p -38.38 129.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.91 0.386 . . . . 0.0 111.11 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 80.5 p -92.59 117.0 29.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -78.48 167.57 21.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -170.36 128.34 0.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -139.39 163.15 33.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.05 -57.79 0.26 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.0 mmt -63.34 128.03 33.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.49 159.9 16.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -158.18 148.34 20.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt 44.46 41.07 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.1 p -109.54 105.7 15.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -41.03 146.3 0.41 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.79 33.9 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 m -118.42 91.82 3.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.3 t -141.79 162.89 34.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.525 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -118.78 91.68 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.379 . . . . 0.0 110.843 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -118.15 162.9 17.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.48 -141.88 3.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.532 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -52.61 146.49 10.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.817 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.7 p -131.84 127.75 37.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.74 49.52 0.85 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.07 60.81 4.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 63.0 mmm -47.91 -58.14 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -98.23 169.74 9.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.2 m -92.17 141.59 28.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.3 t -110.66 140.83 44.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.814 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.79 -83.18 0.13 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.2 mttp -42.36 137.38 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -102.97 118.29 36.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.559 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 28.2 t0 -126.53 169.71 12.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' HA ' HD12 ' A' ' 20' ' ' ILE . 4.6 mp0 -91.73 -25.49 19.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.31 -51.87 68.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.085 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.559 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 9.2 p-90 -57.15 -32.02 65.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.536 HG13 ' CE2' ' A' ' 19' ' ' TRP . 96.4 mt -65.89 -39.31 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.643 ' CE ' HD13 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -43.23 -40.86 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ILE . 5.3 t -58.44 -48.18 81.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -39.18 -56.04 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.16 -35.82 76.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.591 HG22 ' CG2' ' A' ' 29' ' ' THR . 4.4 mm -65.2 -54.23 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ILE . 63.1 tttt -37.64 -55.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -45.03 -42.03 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.2 mp -76.3 -46.65 26.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.591 ' CG2' HG22 ' A' ' 25' ' ' ILE . 19.9 p -53.49 -27.99 28.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -84.25 -22.65 30.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 37.9 mtm -74.18 -69.41 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.8 34.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -140.31 143.16 32.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.3 Cg_endo -69.76 168.14 22.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -76.89 -32.46 57.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.539 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 8.6 mt-10 -40.12 -64.8 0.5 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.633 0.73 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.743 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.9 Cg_endo -69.72 -50.99 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.554 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -46.64 -21.9 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -89.8 -51.45 5.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 4.8 pt-20 -60.77 -48.19 82.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.491 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -56.71 -62.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.643 HD13 ' CE ' ' A' ' 21' ' ' MET . 38.7 mt -38.56 -49.62 1.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -49.16 -41.01 35.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' ALA . 19.6 m -87.99 -13.18 42.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 51' ' ' GLN . 38.8 m-80 -100.81 32.44 3.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 42.1 36.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 10.5 mmt 60.24 51.82 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -117.16 153.91 32.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.457 HD11 ' CD1' ' A' ' 28' ' ' LEU . 8.5 tp -92.74 -45.69 7.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.88 -37.09 85.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.446 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 7.4 mm100 -79.61 -41.5 26.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.409 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -66.41 -50.16 64.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.145 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 45.1 mtp -51.42 -56.01 15.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.3 t -55.96 -34.79 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.78 -33.25 75.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.743 HD22 ' HB2' ' A' ' 37' ' ' PRO . 15.2 mt -86.0 -42.81 13.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.49 -48.87 68.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -44.93 -35.15 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -97.14 39.52 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -173.55 131.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 61' ' ' VAL . 13.5 p -104.28 116.21 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -161.97 122.82 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.6 t -79.94 98.94 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -148.05 112.76 5.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -62.8 135.27 57.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -81.39 135.15 35.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -115.85 51.34 0.73 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -110.01 91.71 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 69.12 77.54 0.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.462 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.568 HG22 ' OD1' ' A' ' 72' ' ' ASP . 11.4 p -97.2 134.68 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.926 0.393 . . . . 0.0 111.126 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.5 t -81.58 80.62 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.568 ' OD1' HG22 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -132.65 131.18 41.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -73.14 131.67 42.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -80.17 -45.08 18.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.51 71.56 0.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 ttt -144.38 150.39 37.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.744 0.307 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -130.15 41.6 3.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.12 126.43 20.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -155.46 131.78 10.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.9 t -88.37 -60.66 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 133.55 -173.36 21.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.16 27.93 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.719 2.279 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.2 m -123.74 105.19 9.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.1 t -74.54 84.51 2.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -116.74 148.35 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 110.872 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -134.5 172.19 13.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.93 56.84 0.66 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -118.61 122.91 43.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -108.25 108.12 19.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.38 159.97 13.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -158.03 -153.97 6.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.02 74.97 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.472 ' HE2' ' N ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -82.51 131.63 35.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 m -123.77 99.5 6.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.1 p -133.05 144.16 49.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.98 41.68 3.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -118.53 167.78 11.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.71 0.291 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -82.99 84.27 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.569 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 52.7 m-20 -109.76 172.95 6.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HA ' HD12 ' A' ' 20' ' ' ILE . 21.6 tt0 -93.25 -37.69 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.95 -49.29 20.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 6.9 p-90 -61.91 -34.66 76.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.568 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 98.8 mt -64.49 -45.82 94.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.154 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.533 ' HE1' ' CB ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -36.7 -45.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' ILE . 15.3 t -54.66 -49.04 71.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' HD2' ' CZ3' ' A' ' 19' ' ' TRP . 28.2 mtp180 -37.62 -54.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.536 HD13 HD22 ' A' ' 42' ' ' LEU . 12.7 mt -64.34 -35.41 80.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 22' ' ' SER . 3.1 mm -65.22 -35.65 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -55.2 -46.22 75.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -55.81 -45.14 78.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.48 -58.1 4.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.0 p -48.71 -22.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -78.68 -32.52 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.8 mtm -71.24 -72.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.09 41.74 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -139.05 143.64 37.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.4 Cg_endo -69.81 167.59 24.07 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.707 2.272 . . . . 0.0 112.35 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -77.74 -29.5 51.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.554 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 2.4 mp0 -42.72 -65.57 0.53 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.741 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.6 Cg_endo -69.75 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 0.0 112.393 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -44.33 -29.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.064 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' OE1' HD11 ' A' ' 25' ' ' ILE . 8.2 tp10 -82.98 -58.85 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -50.22 -40.29 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 44' ' ' SER . . . -68.51 -69.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.536 HD22 HD13 ' A' ' 24' ' ' LEU . 16.2 mt -34.78 -47.26 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -52.4 -45.9 66.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' ALA . 31.7 m -85.72 -13.92 46.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.453 ' OD1' ' C ' ' A' ' 51' ' ' GLN . 30.4 m-80 -95.75 34.78 1.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 39.84 35.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 6.2 mmt 61.13 47.4 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -112.35 152.2 28.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.6 tp -91.79 -46.95 7.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.79 -37.2 86.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.453 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 34.1 mt-30 -78.85 -39.24 35.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.47 -53.38 23.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 50.1 mtp -47.94 -59.31 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 t -45.92 -46.5 16.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.17 -32.1 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 37' ' ' PRO . 10.2 mt -87.88 -51.35 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 58' ' ' GLU . 13.2 mt -54.4 -57.4 11.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 57' ' ' LEU . 47.0 mm-40 -37.72 -53.75 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -59.55 -57.77 11.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -84.67 105.86 15.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.4 t -78.31 105.34 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -139.52 173.55 11.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.4 t -117.4 85.85 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -108.02 164.19 12.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -52.98 171.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.2 ttm-85 -61.53 95.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.0 -119.26 12.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.3 tp -126.0 -59.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.839 0.352 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 137.53 70.44 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.474 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.1 m -87.2 40.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.6 p -139.24 148.21 42.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -131.62 94.63 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -156.57 134.75 11.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -111.72 163.36 14.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.54 125.83 6.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.2 ttt -152.97 141.35 20.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.752 0.311 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.85 144.8 27.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -174.54 150.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -126.47 176.53 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.6 p -91.49 -60.5 1.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.6 150.45 24.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -173.99 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.384 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 t -129.21 177.28 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.0 p -136.82 177.82 7.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.4 p -169.5 168.59 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.8 p -68.73 122.73 19.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.48 158.39 45.35 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.453 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -94.19 96.62 9.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.817 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.4 p -66.44 171.99 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.35 -93.05 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.13 -72.18 2.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.2 mmt -119.95 117.92 29.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 110.817 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -78.44 -60.7 2.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 11' ' ' THR . 10.1 t -157.03 122.17 4.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 p -63.01 -61.28 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.62 82.87 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -151.28 118.17 5.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.71 0.291 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -68.48 109.69 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.531 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 37.8 m-20 -134.85 173.74 11.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 20' ' ' ILE . 8.2 pt-20 -93.73 -37.25 11.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.18 -49.58 32.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.148 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.553 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 8.4 p-90 -62.32 -34.47 76.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.553 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 98.6 mt -64.46 -46.13 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.577 ' CE ' HD13 ' A' ' 42' ' ' LEU . 3.7 tpt -38.0 -40.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' ILE . 23.0 t -58.85 -45.87 89.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' ILE . 22.2 mtp180 -42.69 -49.47 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD12 ' HE3' ' A' ' 21' ' ' MET . 85.9 mt -63.47 -30.24 71.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.627 HG22 HG23 ' A' ' 29' ' ' THR . 4.2 mm -70.6 -51.68 35.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -40.42 -47.95 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -52.51 -38.42 59.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.415 ' CD1' HD11 ' A' ' 49' ' ' LEU . 9.5 mp -80.83 -47.39 13.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.627 HG23 HG22 ' A' ' 25' ' ' ILE . 51.8 p -48.85 -19.51 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.86 -37.5 17.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -64.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.44 33.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -136.18 143.53 44.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.485 ' HG2' ' CG ' ' A' ' 37' ' ' PRO . 53.7 Cg_endo -69.77 176.16 7.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.699 2.266 . . . . 0.0 112.349 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -85.13 -30.5 23.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.544 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 9.5 mt-10 -42.31 -65.29 0.54 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.62 0.724 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.5 Cg_endo -69.79 -50.37 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.323 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.692 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -47.17 -25.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.06 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' HA ' HD11 ' A' ' 25' ' ' ILE . 34.4 tt0 -82.37 -44.36 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.81 -53.4 33.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.92 -63.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 38' ' ' ALA . 23.1 mt -40.78 -54.92 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -44.28 -36.41 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -92.79 -17.31 24.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 53.6 m-80 -98.55 37.77 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 40.25 32.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 13.2 mmt 65.09 46.88 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' O ' HD23 ' A' ' 42' ' ' LEU . 3.4 t-20 -110.66 153.25 25.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.415 HD11 ' CD1' ' A' ' 28' ' ' LEU . 7.5 tp -93.34 -46.2 7.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.43 -37.26 86.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -76.81 -40.64 47.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -70.25 -53.16 18.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 51.3 mtp -48.4 -50.41 30.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -62.25 -35.67 79.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.92 -27.56 69.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 37' ' ' PRO . 5.7 mt -92.05 -41.61 10.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' GLU . 4.7 mt -70.2 -52.9 19.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' LEU . 3.1 pp20? -34.51 -40.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' GLU . 26.5 mtpp -36.56 -51.52 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -132.98 150.81 52.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.905 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.7 t -74.89 106.1 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -135.38 -175.32 3.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.548 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.4 p -114.07 113.1 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -106.96 172.97 6.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -67.38 150.1 49.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -41.02 -44.63 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 136.38 157.21 7.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.548 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.6 mp -88.92 101.52 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -160.19 74.14 0.21 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 p -115.7 140.52 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.1 153.39 44.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -129.1 146.5 51.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 74' ' ' ASN . 4.3 p-80 -76.83 -44.13 33.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 73' ' ' HIS . 5.2 m120 -161.69 137.79 7.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.44 173.9 24.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 ttt -153.87 119.8 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.764 0.316 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -156.96 123.72 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -174.47 125.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -75.26 -59.21 2.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -78.15 119.12 21.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -121.31 -158.84 10.51 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 99.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.367 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.2 m -138.62 174.51 10.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 89.2 p -174.66 157.84 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -37.49 155.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.75 ' CB ' ' HB3' ' A' ' 77' ' ' ALA . 79.7 p -86.62 -47.02 9.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.68 41.33 99.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 p -89.35 124.81 34.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.326 . . . . 0.0 110.919 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -65.52 137.93 57.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.28 147.32 17.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.33 -160.99 17.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 29.9 mmt -114.38 131.81 56.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -102.45 -45.07 5.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -78.71 -40.56 33.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 99.0 p -102.4 117.7 35.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.34 124.22 1.49 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -85.81 89.48 7.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.732 0.301 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -90.49 101.62 14.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.545 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 3.1 m-20 -106.9 131.65 53.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -56.23 -25.57 48.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.72 -57.86 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.581 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 8.0 p-90 -63.56 -35.94 82.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.581 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 83.7 mt -62.26 -43.14 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -40.91 -40.58 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.9 t -58.13 -46.19 86.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -42.22 -54.26 3.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 70.4 mt -61.52 -40.33 94.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.506 HD11 ' HA ' ' A' ' 39' ' ' GLU . 3.8 mm -58.96 -51.22 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -41.17 -57.7 2.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -43.62 -35.41 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.541 ' CD1' HD11 ' A' ' 49' ' ' LEU . 9.9 mp -82.64 -42.64 17.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.456 HG23 HG22 ' A' ' 25' ' ' ILE . 51.1 p -55.16 -25.02 29.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -83.71 -30.53 26.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.4 mtm -66.58 -65.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.11 32.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -135.71 141.06 35.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.682 0.753 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.8 Cg_endo -69.72 158.75 55.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.442 ' HB2' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -69.53 -29.81 67.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.54 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 11.2 mm-40 -41.88 -65.29 0.52 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.615 0.721 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.6 Cg_endo -69.74 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.734 2.289 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.646 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -48.12 -21.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.506 ' HA ' HD11 ' A' ' 25' ' ' ILE . 13.1 tt0 -88.88 -48.54 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 41' ' ' ALA . 4.4 pt-20 -63.6 -46.28 86.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 40' ' ' GLU . . . -58.84 -63.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 38' ' ' ALA . 11.6 mt -34.99 -59.99 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -42.9 -41.6 3.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' ALA . 67.7 m -85.34 -20.35 30.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 33.7 m-80 -93.69 35.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 41.81 44.92 2.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.418 ' SD ' ' CE ' ' A' ' 21' ' ' MET . 10.3 mmt 48.17 53.72 11.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.6 149.15 45.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.541 HD11 ' CD1' ' A' ' 28' ' ' LEU . 9.9 tp -85.92 -48.02 9.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.12 -37.81 84.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.44 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 36.9 mt-30 -77.58 -44.46 28.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.465 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -58.98 -51.42 70.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.093 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 18.2 mtp -50.44 -59.62 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 t -48.76 -40.26 28.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.02 -29.81 65.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -90.61 -41.54 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.772 ' HA ' HG12 ' A' ' 61' ' ' VAL . 6.5 mt -62.04 -33.4 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.962 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.412 ' OE1' ' C ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -42.67 -29.73 0.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 60' ' ' LYS . 37.4 mtpt -83.68 37.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER 34.34 44.55 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.772 HG12 ' HA ' ' A' ' 57' ' ' LEU . 12.5 p -82.47 119.19 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 61' ' ' VAL . 18.8 m-20 -35.75 141.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.5 t -95.31 90.97 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -90.84 102.96 15.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -113.82 103.47 11.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -90.96 -46.66 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.75 142.16 3.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.6 mt -115.65 -41.97 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 120.34 97.46 1.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.1 t -89.81 -50.23 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 95.4 m -81.32 87.56 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -119.77 171.4 8.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -124.89 129.77 51.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -158.36 145.6 17.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.78 77.81 0.15 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.498 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -83.34 93.78 7.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.75 ' HB3' ' CB ' ' A' ' 3' ' ' SER . . . -140.02 166.98 23.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.076 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.4 -55.98 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -87.55 118.88 27.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.4 p -165.78 129.86 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 100.32 83.49 1.74 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 105.86 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.323 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -76.89 141.66 40.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 81.3 p -139.24 114.16 9.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.481 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -159.64 165.69 32.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.373 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.6 p -165.19 116.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.81 52.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -160.59 149.2 16.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -153.73 171.15 19.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.44 -127.69 8.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 171.57 58.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.451 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.7 tpt -59.74 90.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -100.9 129.61 46.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 77.2 p -121.11 170.82 9.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.5 p -101.77 -60.45 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.46 -162.98 0.26 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -72.9 159.67 33.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.692 0.282 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -120.6 97.76 5.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.452 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 0.8 OUTLIER -130.84 119.63 22.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.58 -27.64 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.13 -57.03 13.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.579 ' CZ2' HG12 ' A' ' 20' ' ' ILE . 5.9 p-90 -65.47 -36.32 83.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.579 HG12 ' CZ2' ' A' ' 19' ' ' TRP . 70.5 mt -61.62 -44.45 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.161 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.6 tpt -40.76 -38.04 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 25' ' ' ILE . 25.0 p -58.75 -50.59 73.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' HD2' ' CH2' ' A' ' 19' ' ' TRP . 50.2 mtp180 -37.73 -56.94 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.9 mt -57.72 -32.81 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.763 HG22 HG23 ' A' ' 29' ' ' THR . 4.7 mm -68.93 -50.32 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -38.42 -56.43 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -45.09 -41.59 7.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.562 ' CD1' HD11 ' A' ' 49' ' ' LEU . 10.0 mp -76.36 -55.13 5.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.763 HG23 HG22 ' A' ' 25' ' ' ILE . 72.4 p -44.56 -31.03 1.0 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.52 -31.83 47.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 28' ' ' LEU . 81.7 mtp -66.54 -69.18 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 167.59 38.98 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -139.34 144.42 40.08 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.2 Cg_endo -69.79 162.85 40.51 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.641 2.228 . . . . 0.0 112.336 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -72.84 -30.73 64.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.551 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 17.3 mm-40 -41.41 -65.39 0.49 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.645 0.736 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 36' ' ' GLU . 53.7 Cg_endo -69.74 -51.01 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.24 . . . . 0.0 112.334 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.676 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -39.75 -31.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -83.27 -60.14 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -50.14 -50.41 48.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.23 -67.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 38' ' ' ALA . 15.2 mt -40.56 -52.59 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -47.81 -42.35 25.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -86.41 -19.85 29.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 52' ' ' ALA . 45.0 m-80 -92.86 29.09 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 43.48 41.0 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.7 mmt 61.58 51.12 4.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' CB ' ' HB2' ' A' ' 51' ' ' GLN . 9.2 m120 -117.58 131.23 56.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' ' 28' ' ' LEU . 10.4 tp -79.78 -56.62 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -41.5 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.44 ' HB2' ' CB ' ' A' ' 48' ' ' ASN . 30.8 mm-40 -67.59 -51.52 49.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.403 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . . . -58.62 -56.13 26.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.561 ' HA ' HD12 ' A' ' 56' ' ' LEU . 49.7 mtp -41.93 -59.64 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.1 t -53.43 -40.08 64.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.14 -27.45 69.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 53' ' ' MET . 4.6 mt -88.64 -37.05 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 58' ' ' GLU . 7.2 mt -73.84 -55.0 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 57' ' ' LEU . 2.9 pp20? -35.15 -38.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -52.86 -58.96 5.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -122.37 133.75 54.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -83.59 105.06 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.47 178.66 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.5 p -103.38 109.28 26.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -151.46 178.17 9.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -130.72 122.03 26.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -66.29 123.49 20.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.04 124.29 1.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.5 mt -136.66 138.48 41.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.351 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -144.92 101.11 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.8 t -57.39 105.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 111.135 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 57.2 m -114.64 -50.09 2.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -94.27 91.39 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -53.92 112.68 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -66.13 98.85 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.25 154.84 16.34 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -55.61 9.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.722 0.296 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -151.55 168.66 24.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -159.22 150.05 19.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -159.56 158.78 32.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.9 t -168.76 166.49 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 154.64 146.46 4.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 157.91 58.76 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.9 p -174.43 166.08 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.3 m -95.09 178.22 5.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m 39.9 42.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.914 0.388 . . . . 0.0 110.893 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 t -58.45 118.74 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.819 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.59 68.98 0.67 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -131.49 125.24 31.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.912 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -49.66 144.48 6.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.827 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.5 90.19 1.42 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 178.9 -75.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.539 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.15 108.58 16.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.51 41.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.2 m -48.27 118.23 2.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 t -51.65 -49.62 61.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.34 -163.52 54.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.532 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -38.6 153.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.71 0.291 . . . . 0.0 110.924 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -73.31 122.11 21.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 19' ' ' TRP . 12.7 m-20 -112.51 170.93 7.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.657 ' HA ' HD12 ' A' ' 20' ' ' ILE . 31.6 mt-10 -92.08 -30.31 16.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.1 -50.2 69.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 16' ' ' ASP . 7.9 p-90 -59.27 -33.73 71.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 17' ' ' GLU . 89.8 mt -64.21 -47.6 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.562 ' CE ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -34.62 -44.52 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' ILE . 6.2 t -56.04 -51.63 67.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' SER . 24.4 mtp180 -35.68 -55.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.17 -39.78 95.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.751 HG22 HG23 ' A' ' 29' ' ' THR . 3.7 mm -59.42 -48.29 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' ILE . 14.3 ttmm -37.62 -56.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.437 ' NE2' ' H ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -42.71 -48.95 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 31' ' ' MET . 10.9 mp -70.83 -53.45 15.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.751 HG23 HG22 ' A' ' 25' ' ' ILE . 44.5 p -42.7 -34.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -81.54 -29.22 33.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 28' ' ' LEU . 9.9 mtt -65.8 -69.04 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.419 ' O ' ' CD1' ' A' ' 33' ' ' PHE . . . 170.3 38.86 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 32' ' ' GLY . 2.3 m-85 -147.3 141.66 16.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 110.911 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HG2' ' CD ' ' A' ' 37' ' ' PRO . 53.6 Cg_endo -69.77 157.95 58.61 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.647 2.231 . . . . 0.0 112.369 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -68.4 -30.48 69.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.542 ' CB ' ' CD ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -41.31 -65.34 0.49 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 110.895 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.653 ' HB2' HD22 ' A' ' 56' ' ' LEU . 53.6 Cg_endo -69.74 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.431 ' HA ' HD11 ' A' ' 56' ' ' LEU . . . -46.35 -22.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.471 ' HA ' HD11 ' A' ' 25' ' ' ILE . 15.9 tt0 -86.15 -55.06 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -58.16 -41.88 84.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -62.24 -61.15 2.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 48' ' ' ASN . 29.5 mt -36.74 -55.82 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.533 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 9.0 mtpm? -44.63 -44.29 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' ALA . 20.8 m -81.84 -16.25 51.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.449 ' OD1' ' C ' ' A' ' 51' ' ' GLN . 31.6 m-80 -99.99 33.73 2.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.6 m120 47.17 35.81 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.533 ' HE3' ' HA ' ' A' ' 43' ' ' LYS . 11.1 mmt 57.77 44.91 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.637 ' O ' HD23 ' A' ' 42' ' ' LEU . 8.5 t-20 -110.43 157.79 19.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.1 tp -93.91 -47.97 6.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -64.22 -37.52 87.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.449 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 18.1 mm-40 -78.2 -41.86 33.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.501 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -63.41 -52.25 62.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.8 mtp -50.06 -58.4 5.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 t -50.27 -29.5 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -69.46 -34.13 73.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.653 HD22 ' HB2' ' A' ' 37' ' ' PRO . 27.0 mt -85.58 -54.16 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.8 mt -48.04 -47.06 33.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -42.94 -60.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -52.07 -50.61 61.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -130.41 123.95 31.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.2 t -91.62 122.96 43.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -129.83 167.06 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.2 t -81.0 86.94 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -96.89 167.95 10.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -126.04 145.42 50.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -63.8 -42.75 97.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.2 135.92 13.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.468 ' C ' HD12 ' A' ' 68' ' ' LEU . 3.5 pp -128.74 177.07 7.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.9 95.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.5 m -84.43 159.2 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 111.109 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.2 m -76.45 117.69 18.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -123.08 -179.14 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.8 m170 56.42 44.03 25.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -98.13 168.27 10.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -58.12 -177.1 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 28.6 mtp -78.41 165.98 23.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.95 -64.47 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.06 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.9 95.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -60.46 151.01 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.9 p -53.38 -46.19 69.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 142.69 -158.25 26.99 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 90.78 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.1 p -103.61 145.63 29.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.7 p -82.85 -49.08 10.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.8 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.938 . . . . . . . . 0 0 . 1 stop_ save_