data_1nd9_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 1nd9 _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 ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.733 0.302 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.07 127.91 36.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.021 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -143.57 175.82 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.22 124.51 33.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.379 0.609 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.795 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -53.36 151.73 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.713 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.73 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 0.2 OUTLIER 97.3 -64.25 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.636 1.21 . . . . 0.0 108.465 -178.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 m -61.21 -46.42 90.53 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.487 ' O ' HG11 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -70.75 -46.87 62.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.134 -1.394 . . . . 0.0 108.267 176.131 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.73 ' HB2' ' HA ' ' A' ' 7' ' ' LYS . . . -46.74 -49.66 19.27 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.538 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' GLU . . . -59.09 -48.69 80.68 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.151 177.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -33.71 -71.55 0.06 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.825 179.435 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 13.2 mmp_? -70.44 -48.59 55.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.656 0.741 . . . . 0.0 109.666 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.421 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 84.23 -48.59 0.11 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.794 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 p -114.46 15.77 17.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.835 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.436 ' HB2' ' CG ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -131.91 -89.22 0.44 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.808 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.8 p -51.18 -49.82 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -177.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.497 ' O ' HG22 ' A' ' 21' ' ' VAL . 33.7 tt0 -48.17 -54.72 12.41 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 121.364 1.893 . . . . 0.0 109.836 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -45.42 78.7 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.182 177.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.808 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -53.31 -48.46 68.4 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 113.978 -1.464 . . . . 0.0 111.84 -178.361 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.635 HG21 ' CG1' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -54.86 -48.94 73.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.462 -179.198 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' CG ' ' HB2' ' A' ' 32' ' ' SER . 33.7 mt-30 -56.4 -68.85 0.18 Allowed 'General case' 0 C--O 1.242 0.709 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.529 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 33.0 mm-40 -48.81 -49.43 39.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.09 0.471 . . . . 0.0 110.205 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.967 ' HA ' ' HB1' ' A' ' 27' ' ' ALA . 6.7 m-85 -52.81 -44.34 66.59 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -45.18 -46.97 12.43 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -62.29 -48.84 78.12 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.878 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.967 ' HB1' ' HA ' ' A' ' 24' ' ' PHE . . . -54.16 -77.4 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.566 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' PHE . . . 171.44 45.41 0.04 OUTLIER Glycine 0 C--N 1.338 0.692 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.324 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.613 ' HB ' ' HB3' ' A' ' 24' ' ' PHE . 1.9 mm -142.19 -178.14 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 123.75 0.82 . . . . 0.0 109.676 -178.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -74.37 147.46 42.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -178.132 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.569 ' C ' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -87.54 167.25 14.11 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -176.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.574 ' HA ' HG13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -92.66 175.96 6.63 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 114.433 -1.258 . . . . 0.0 112.277 -178.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.661 ' H ' HD12 ' A' ' 6' ' ' ILE . . . 96.4 43.13 0.0 OUTLIER 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.765 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.603 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 6.1 t70 61.35 105.04 0.02 OUTLIER 'General case' 0 C--O 1.231 0.096 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.356 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 34.8 t70 166.71 -109.08 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.558 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.461 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 2.0 p -118.56 136.92 53.58 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.061 -1.024 . . . . 0.0 112.036 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.795 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 11.2 p -139.41 166.76 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.513 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.489 ' N ' ' CG2' ' A' ' 37' ' ' VAL . 1.0 OUTLIER -123.6 123.26 40.19 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.608 176.512 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.56 146.65 31.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.902 0.382 . . . . 0.0 111.208 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.58 2.89 4.46 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.784 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.729 ' O ' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -77.99 -5.59 51.77 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.331 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.432 ' C ' ' H ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -32.73 -25.62 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 179.148 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.587 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -47.75 -13.67 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.538 0.208 . . . . 0.0 111.348 178.712 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.576 ' OG1' ' CE1' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -47.1 -48.66 22.82 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.618 0.246 . . . . 0.0 111.036 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.474 ' N ' ' CG2' ' A' ' 44' ' ' THR . 47.9 mt -49.35 -49.94 42.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.401 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 31.2 mt -70.33 -61.37 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.83 -64.33 0.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.576 ' CE1' ' OG1' ' A' ' 44' ' ' THR . 50.6 m80 -49.71 -49.48 47.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 6.2 mp -53.34 -69.89 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m120 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.874 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.855 0.36 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.8 135.08 42.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.584 ' O ' ' O ' ' A' ' 37' ' ' VAL . 2.9 t -140.44 167.91 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.0 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.0 p -73.13 124.24 25.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.558 0.694 . . . . 0.0 111.448 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.707 HG12 ' HA ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -51.22 149.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.656 178.465 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.506 ' H ' ' HB2' ' A' ' 10' ' ' ALA . 0.4 OUTLIER 97.89 -77.27 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.958 -1.474 . . . . 0.0 109.957 179.376 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.94 -44.26 29.97 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 106.511 -1.662 . . . . 0.0 106.511 177.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.464 ' O ' HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -71.42 -46.93 58.91 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 113.602 -1.636 . . . . 0.0 108.757 175.82 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.506 ' HB2' ' H ' ' A' ' 7' ' ' LYS . . . -46.82 -54.83 9.01 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.061 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' GLU . . . -59.09 -48.46 81.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' ALA . 9.9 tp10 -30.24 -71.54 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.918 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.51 ' HB3' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER -70.51 -49.34 49.35 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.781 179.506 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.422 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 84.79 -28.32 0.09 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.751 -179.473 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.3 p -132.86 8.73 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.011 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.51 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -127.94 -89.27 0.53 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.102 179.746 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.859 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -49.56 -51.15 15.8 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.3 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 4.4 tt0 -48.35 -50.08 31.83 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 121.176 1.807 . . . . 0.0 109.23 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -58.87 -46.51 87.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.966 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.859 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -49.32 -48.54 46.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.985 -1.461 . . . . 0.0 110.442 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.741 HG12 ' CG2' ' A' ' 37' ' ' VAL . 2.5 t -54.13 -50.95 51.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.803 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -61.15 -70.22 0.2 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.58 ' O ' ' NE2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -49.72 -49.57 47.34 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.489 -179.024 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.954 ' HA ' ' HB3' ' A' ' 27' ' ' ALA . 9.4 m-85 -56.56 -45.28 81.36 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -178.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 31' ' ' LYS . . . -45.61 -47.17 14.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.29 -48.98 71.27 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.474 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.954 ' HB3' ' HA ' ' A' ' 24' ' ' PHE . . . -44.39 -72.75 0.05 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.739 0.781 . . . . 0.0 112.086 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 170.76 40.96 0.03 OUTLIER Glycine 0 C--N 1.333 0.404 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.584 ' HB ' ' HB3' ' A' ' 24' ' ' PHE . 1.1 mt -136.28 -175.61 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 113.615 -1.293 . . . . 0.0 108.776 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.649 ' HB2' ' HA ' ' A' ' 37' ' ' VAL . 1.4 mtt-85 -82.03 171.1 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.014 -0.674 . . . . 0.0 111.57 -176.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.457 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 7.4 mptt -87.97 166.6 14.38 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -176.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.707 ' HA ' HG12 ' A' ' 6' ' ' ILE . 27.5 p -100.64 176.04 5.45 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 114.079 -1.419 . . . . 0.0 113.083 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 32' ' ' SER . . . 91.74 55.17 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.615 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 0.4 OUTLIER 58.26 102.87 0.02 OUTLIER 'General case' 0 CA--C 1.527 0.094 0 CA-C-O 120.906 0.384 . . . . 0.0 110.693 -179.8 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.422 ' C ' HG22 ' A' ' 6' ' ' ILE . 5.3 t70 175.86 -141.09 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.608 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 6.0 p -120.51 118.4 30.15 Favored 'General case' 0 C--O 1.223 -0.309 0 O-C-N 121.523 -0.735 . . . . 0.0 111.141 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.741 ' CG2' HG12 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -145.42 179.4 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.474 -178.342 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.409 ' O ' HD11 ' A' ' 20' ' ' LEU . 5.0 t -83.02 157.71 22.8 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.399 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.8 144.56 48.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 66.59 6.33 4.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.88 0.371 . . . . 0.0 110.421 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.92 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.2 OUTLIER -55.64 -22.85 24.73 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.364 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.0 OUTLIER 11.61 -48.63 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 178.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.92 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -39.98 -19.79 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.757 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.557 ' HB ' ' CE2' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -48.2 -49.22 33.71 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.861 0.362 . . . . 0.0 110.92 179.549 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.461 ' N ' ' CG2' ' A' ' 44' ' ' THR . 1.3 mt -51.5 -53.97 31.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.732 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mp -70.25 -57.15 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.74 -68.1 0.2 Allowed 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.58 ' NE2' ' O ' ' A' ' 23' ' ' GLN . 66.9 m80 -49.84 -49.63 48.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.374 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.0 mt -50.32 -70.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.149 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 m120 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.163 -0.923 . . . . 0.0 111.024 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.735 0.302 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -125.8 131.99 52.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.426 ' HB ' HD23 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -143.66 175.62 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 179.603 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.83 124.75 32.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.501 0.667 . . . . 0.0 111.207 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.924 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 6.0 tp -56.8 155.28 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.337 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.635 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER 96.01 -71.47 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 124.928 1.393 . . . . 0.0 108.634 -179.189 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -43.02 76.32 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 176.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.428 ' O ' HG13 ' A' ' 17' ' ' VAL . 6.0 tp -71.05 -47.03 60.81 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 113.962 -1.472 . . . . 0.0 108.589 176.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . . . -46.92 -49.61 20.22 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.644 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.52 81.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.992 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -34.46 -72.52 0.05 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.643 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.457 ' HB3' ' CB ' ' A' ' 16' ' ' SER . 1.9 mmm180 -70.8 -48.54 53.62 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.709 0.766 . . . . 0.0 109.511 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 81.3 -52.52 0.29 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.316 -1.311 . . . . 0.0 110.538 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.6 t -106.21 11.33 31.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.851 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -129.76 -91.0 0.46 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.619 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.787 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 3.9 p -49.88 -49.76 20.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.593 ' O ' HG11 ' A' ' 21' ' ' VAL . 1.2 tt0 -48.83 -49.66 38.12 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 121.838 2.108 . . . . 0.0 110.183 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -60.41 -45.31 94.04 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 122.128 0.966 . . . . 0.0 110.232 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.787 ' CD2' ' HA ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -55.27 -49.18 72.74 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 113.588 -1.642 . . . . 0.0 112.171 -177.807 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.708 HG12 HG12 ' A' ' 6' ' ' ILE . 6.7 p -54.91 -47.91 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.43 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.524 ' N ' HG13 ' A' ' 21' ' ' VAL . 34.2 mt-30 -54.29 -69.73 0.12 Allowed 'General case' 0 C--O 1.244 0.776 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.251 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.486 ' O ' ' NE2' ' A' ' 48' ' ' HIS . 1.2 mp0 -49.81 -49.52 48.5 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.653 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.025 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 9.6 m-85 -53.13 -45.38 68.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -45.95 -46.97 16.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 177.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -48.87 75.09 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.182 175.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 1.025 ' HB2' ' HA ' ' A' ' 24' ' ' PHE . . . -48.23 -74.57 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 121.631 0.729 . . . . 0.0 111.521 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.13 46.84 0.03 OUTLIER Glycine 0 C--N 1.336 0.529 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.586 HG13 ' CD1' ' A' ' 24' ' ' PHE . 2.1 mm -140.46 -176.7 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.174 -1.013 . . . . 0.0 109.974 -177.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.44 ' HG2' ' HB3' ' A' ' 36' ' ' SER . 0.8 OUTLIER -75.51 152.5 37.82 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.516 -177.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.435 ' C ' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -84.33 162.24 20.13 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -176.399 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.637 ' N ' HG23 ' A' ' 21' ' ' VAL . 8.1 p -91.66 175.44 6.9 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 114.046 -1.433 . . . . 0.0 113.971 -177.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 32' ' ' SER . . . 89.16 55.08 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 114.066 -1.424 . . . . 0.0 110.752 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.553 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 1.4 t70 58.53 97.73 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.065 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 61.6 t0 173.24 -113.26 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.373 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.44 ' HB3' ' HG2' ' A' ' 30' ' ' ARG . 50.6 m -120.24 137.23 54.34 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.163 -0.961 . . . . 0.0 112.026 177.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.924 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 11.6 p -141.49 170.64 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.036 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.512 ' N ' ' CG2' ' A' ' 37' ' ' VAL . 2.3 t -118.08 123.76 46.41 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 176.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.68 144.26 33.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.93 0.395 . . . . 0.0 111.445 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.88 5.87 5.26 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.013 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.697 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.4 OUTLIER -75.79 -7.98 55.75 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.449 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' THR . 23.4 pttt -24.73 -30.53 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.697 ' N ' ' O ' ' A' ' 41' ' ' GLU . 94.8 mm-40 -44.28 -16.86 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 178.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.574 ' OG1' ' CE1' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -46.88 -48.4 21.13 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.601 0.239 . . . . 0.0 110.904 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' N ' ' CG2' ' A' ' 44' ' ' THR . 22.9 mt -49.17 -49.63 41.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.653 0.263 . . . . 0.0 111.241 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 mt -69.95 -56.4 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -54.66 -68.8 0.16 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.574 ' CE1' ' OG1' ' A' ' 44' ' ' THR . 66.5 m80 -49.48 -49.85 43.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.606 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 6.9 tt -56.66 -70.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.75 0.31 . . . . 0.0 111.271 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m120 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.952 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.728 0.299 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -122.78 134.91 54.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.955 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.43 ' HB ' HD23 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -143.53 175.68 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.715 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.68 125.04 30.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.55 0.691 . . . . 0.0 111.05 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.87 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -56.05 151.72 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.138 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.683 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 0.1 OUTLIER 103.12 -73.38 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 O-C-N 124.993 1.433 . . . . 0.0 108.917 -179.326 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -58.11 -44.09 87.52 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.455 ' O ' HG12 ' A' ' 17' ' ' VAL . 12.7 tp -70.48 -46.08 64.46 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.08 -1.418 . . . . 0.0 108.353 176.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.683 ' HB2' ' CA ' ' A' ' 7' ' ' LYS . . . -45.95 -49.85 15.37 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.013 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' GLU . . . -67.24 -48.51 67.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.318 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 7.9 tm-20 -27.04 -67.61 0.06 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.492 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.51 ' HB3' ' HB2' ' A' ' 16' ' ' SER . 0.1 OUTLIER -70.12 -48.98 55.22 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.7 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 3.7 tp60 81.72 113.88 0.06 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.688 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.3 m 63.01 17.87 10.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.633 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -130.17 -99.76 0.32 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.736 -179.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.78 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 4.4 p -49.21 -48.38 17.86 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-O 117.946 -1.026 . . . . 0.0 113.051 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.639 ' O ' HG13 ' A' ' 21' ' ' VAL . 52.5 tt0 -48.04 -49.85 29.86 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 121.036 1.744 . . . . 0.0 108.447 177.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.491 ' HB2' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -56.02 -45.84 78.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.726 177.292 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.78 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 46.0 mt -53.53 -52.06 60.86 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.22 -1.354 . . . . 0.0 111.629 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 18' ' ' GLU . 9.6 p -49.23 -46.96 18.67 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.626 ' N ' HG12 ' A' ' 21' ' ' VAL . 1.9 tt0 -61.45 -70.4 0.19 Allowed 'General case' 0 C--O 1.242 0.681 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.681 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.464 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 5.3 mt-30 -49.3 -54.48 16.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.991 0.425 . . . . 0.0 110.472 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.962 ' HA ' ' HB3' ' A' ' 27' ' ' ALA . 4.7 m-85 -49.79 -44.72 49.17 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -45.4 -47.15 13.63 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -48.79 75.51 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.995 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.962 ' HB3' ' HA ' ' A' ' 24' ' ' PHE . . . -49.5 -75.12 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.38 0.61 . . . . 0.0 111.576 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.35 44.48 0.04 OUTLIER Glycine 0 C--N 1.335 0.482 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.655 ' HB ' ' HB3' ' A' ' 24' ' ' PHE . 2.6 mm -139.14 -176.37 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 124.258 1.023 . . . . 0.0 109.962 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 36' ' ' SER . 0.5 OUTLIER -75.83 154.64 36.03 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.718 0.294 . . . . 0.0 110.872 -177.359 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.438 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -85.61 164.86 17.47 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -176.794 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.529 ' CB ' ' CG1' ' A' ' 21' ' ' VAL . 4.3 p -90.27 175.13 7.24 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 114.246 -1.343 . . . . 0.0 114.482 -177.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 32' ' ' SER . . . 91.04 48.4 0.0 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.906 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.579 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 4.4 t70 59.85 109.09 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.183 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 28.8 t70 163.09 -105.46 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.562 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 72.8 m -120.24 135.85 54.85 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.16 -0.962 . . . . 0.0 112.284 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.87 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 12.5 p -142.23 171.66 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.041 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.49 ' H ' ' CG2' ' A' ' 37' ' ' VAL . 42.9 t -123.66 123.31 40.26 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 176.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.52 150.14 27.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.978 0.418 . . . . 0.0 111.277 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 63.54 14.62 8.19 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.722 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.873 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -64.55 -18.65 65.04 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.196 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.529 ' N ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 9.12 -53.83 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 O-C-N 124.298 0.999 . . . . 0.0 113.655 178.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.873 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -37.88 -23.28 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.8 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.563 ' OG1' ' CD2' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -48.46 -49.65 34.63 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.108 -179.58 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 44' ' ' THR . 56.7 mt -53.07 -56.3 17.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.694 0.283 . . . . 0.0 111.675 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 2.9 tp -70.2 -49.73 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.453 ' N ' ' CG2' ' A' ' 46' ' ' ILE . 3.1 t0 -57.14 -70.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.486 ' CE1' ' HB1' ' A' ' 27' ' ' ALA . 70.4 m80 -50.23 -51.01 47.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.779 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.98 -70.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.426 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.887 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.864 0.364 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.37 124.92 38.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 37' ' ' VAL . 1.5 t -143.18 175.08 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.529 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -90.02 124.15 34.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.504 0.668 . . . . 0.0 110.606 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.782 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 10.4 tp -66.27 156.01 6.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.203 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.61 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 0.3 OUTLIER 96.84 -79.34 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 113.966 -1.47 . . . . 0.0 109.414 -179.13 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.4 p -52.44 -44.58 65.58 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.583 ' O ' HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -70.86 -46.03 63.39 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 113.754 -1.566 . . . . 0.0 108.244 175.727 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.61 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . . . -46.07 -49.57 16.25 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.723 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.61 -48.73 71.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.106 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.574 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 16.0 mm-40 -31.92 -57.99 0.29 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.831 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.563 ' HB3' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER -68.44 -48.88 63.42 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.131 179.278 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER 86.49 -32.01 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.176 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.6 p -138.86 17.32 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.808 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.563 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -129.6 -88.31 0.51 Allowed 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.598 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.843 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.0 p -53.8 -51.2 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.547 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 1.3 tt0 -48.61 -54.46 14.52 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 121.524 1.965 . . . . 0.0 108.563 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.527 ' HB3' ' CD1' ' A' ' 45' ' ' LEU . 2.9 tpp180 -51.49 -46.12 63.06 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.049 -1.432 . . . . 0.0 109.192 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.843 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -54.19 -49.04 70.26 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 114.288 -1.324 . . . . 0.0 111.607 -179.498 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.547 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 10.5 p -49.69 -47.33 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 119.162 0.892 . . . . 0.0 111.492 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.49 ' N ' HG13 ' A' ' 21' ' ' VAL . 5.5 pt20 -63.04 -70.28 0.22 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.521 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 21.8 mm-40 -49.4 -48.85 46.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.573 0.702 . . . . 0.0 110.484 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.756 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 10.7 m-85 -52.68 -44.49 66.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.818 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -45.53 -46.71 14.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -62.19 -48.92 77.9 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.593 -1.185 . . . . 0.0 108.853 174.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.583 ' CB ' ' HA ' ' A' ' 24' ' ' PHE . . . -41.02 -77.07 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.998 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.37 10.95 0.06 OUTLIER Glycine 0 CA--C 1.529 0.91 0 CA-C-N 115.747 -0.661 . . . . 0.0 113.099 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.59 ' CG1' ' HB3' ' A' ' 24' ' ' PHE . 5.0 pt -102.46 179.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 C-N-CA 123.015 0.526 . . . . 0.0 110.269 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.607 ' O ' HG11 ' A' ' 37' ' ' VAL . 1.5 mtt85 -69.44 123.8 22.22 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.188 -178.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -125.72 123.26 38.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.466 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.571 ' CB ' ' HB3' ' A' ' 35' ' ' ASP . 1.1 m -148.74 177.31 9.63 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.453 0.644 . . . . 0.0 111.542 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.59 90.94 3.44 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.544 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 10.8 t70 69.29 67.29 0.26 Allowed 'General case' 0 C--O 1.231 0.124 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -176.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.571 ' HB3' ' CB ' ' A' ' 32' ' ' SER . 49.6 t0 -168.62 -113.56 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.683 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.95 121.18 29.23 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.782 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 54.8 t -145.24 175.59 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.986 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.506 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 8.4 t -99.52 123.64 43.98 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.418 ' HA ' HD22 ' A' ' 20' ' ' LEU . . . -86.87 154.62 20.72 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 72.25 5.25 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.394 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.53 ' HB2' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -71.69 -17.7 62.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.281 179.277 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.39 -36.74 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' GLU . 60.1 mt-30 -45.67 -44.88 13.75 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.129 0.49 . . . . 0.0 110.657 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.736 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -67.2 -40.69 86.53 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.337 178.429 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.527 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 1.1 tt -44.62 -48.86 10.47 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.7 mt -49.81 -46.74 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 175.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' A' ' 44' ' ' THR . 3.5 t0 -49.07 -49.18 42.84 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.15 -1.386 . . . . 0.0 111.274 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.53 ' CE1' ' HB1' ' A' ' 27' ' ' ALA . 70.1 m80 -48.9 -49.47 39.7 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.152 0.501 . . . . 0.0 109.801 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 tp -51.46 -70.0 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.274 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.828 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.92 0.39 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -120.12 126.88 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.531 ' O ' HG11 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -143.7 176.13 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -87.24 124.52 33.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.148 0.499 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.774 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.72 150.82 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.287 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.682 ' H ' ' HB2' ' A' ' 10' ' ' ALA . 0.3 OUTLIER 97.6 -64.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 125.144 1.528 . . . . 0.0 108.502 -179.244 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 m -58.44 -45.98 87.46 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.527 ' O ' HG11 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -71.04 -46.53 61.89 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.321 175.738 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.682 ' HB2' ' H ' ' A' ' 7' ' ' LYS . . . -46.53 -49.6 18.37 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.868 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -48.49 80.33 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -31.48 -70.29 0.07 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.704 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.557 ' HB3' ' HB2' ' A' ' 16' ' ' SER . 0.1 OUTLIER -70.24 -49.2 52.41 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.581 179.409 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 7.8 tp60 85.84 -32.14 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.905 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 m -132.76 11.49 4.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.961 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.557 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -129.62 -88.29 0.51 Allowed 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.87 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.7 p -49.89 -49.41 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.558 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 2.1 tt0 -48.55 -60.25 2.85 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 121.053 1.751 . . . . 0.0 109.651 178.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -46.25 56.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.445 -1.252 . . . . 0.0 110.826 178.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.87 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -56.0 -48.9 75.05 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.59 -1.187 . . . . 0.0 111.01 -178.643 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.594 HG21 ' CG1' ' A' ' 6' ' ' ILE . 0.8 OUTLIER -49.56 -48.83 19.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 O-C-N 121.953 -0.467 . . . . 0.0 111.984 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -60.91 -70.5 0.18 Allowed 'General case' 0 C--O 1.246 0.874 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.524 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -48.69 -47.45 40.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.917 0.865 . . . . 0.0 109.79 -179.463 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.861 ' CZ ' ' HB ' ' A' ' 44' ' ' THR . 2.3 m-85 -51.16 -44.04 61.39 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.135 -1.393 . . . . 0.0 111.76 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -45.17 -46.83 12.31 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 177.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.38 -49.2 72.54 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.079 175.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.594 ' CB ' ' HA ' ' A' ' 24' ' ' PHE . . . -44.97 -71.43 0.08 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.755 0.788 . . . . 0.0 111.681 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.87 43.74 0.02 OUTLIER Glycine 0 C--N 1.33 0.21 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.586 ' HB ' ' HB3' ' A' ' 24' ' ' PHE . 1.8 mm -136.71 -176.65 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 113.796 -1.202 . . . . 0.0 109.916 -176.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.455 ' O ' HG12 ' A' ' 21' ' ' VAL . 20.8 mmt180 -73.91 149.21 41.6 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.949 -0.301 . . . . 0.0 110.717 -177.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.512 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -81.91 159.16 23.71 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.43 1.081 . . . . 0.0 113.839 -177.323 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.486 ' CB ' ' HB ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -92.53 176.18 6.55 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.289 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.717 ' H ' HD12 ' A' ' 6' ' ' ILE . . . 92.16 47.25 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.788 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.534 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 10.2 t0 60.05 103.98 0.02 OUTLIER 'General case' 0 C--O 1.23 0.064 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.038 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.52 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 60.8 t0 168.55 -109.71 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.639 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 2.2 p -117.44 137.09 52.74 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 120.928 -1.107 . . . . 0.0 112.241 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.774 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 7.9 p -139.2 165.2 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.166 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.477 ' N ' ' CG2' ' A' ' 37' ' ' VAL . 30.5 t -123.51 122.84 39.25 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.402 ' CB ' HD12 ' A' ' 9' ' ' LEU . . . -83.81 153.91 23.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.722 0.296 . . . . 0.0 110.741 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.22 15.84 9.36 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.591 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 1.1 mm-40 -96.99 -21.48 17.39 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.451 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.67 -32.5 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -46.52 -51.16 16.02 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 111.126 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.861 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -56.89 -40.77 76.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.974 178.639 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.498 ' N ' ' CE1' ' A' ' 24' ' ' PHE . 3.4 tm? -44.89 -48.99 11.21 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -178.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.439 HD11 HG23 ' A' ' 46' ' ' ILE . 53.9 mt -49.82 -46.99 22.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 175.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 44' ' ' THR . 4.3 t0 -49.82 -51.97 35.78 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.597 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.562 ' CE1' ' HB1' ' A' ' 27' ' ' ALA . 71.9 m80 -49.69 -49.68 46.68 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 121.084 0.469 . . . . 0.0 109.868 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.07 -69.86 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.157 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.812 0.339 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -84.6 127.78 34.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.476 ' O ' ' O ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER -144.09 175.82 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.141 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.85 124.56 25.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.954 0.883 . . . . 0.0 112.736 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.594 HD13 HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -56.46 154.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 113.763 -1.562 . . . . 0.0 110.735 178.018 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.639 ' HA ' ' HB1' ' A' ' 10' ' ' ALA . 0.1 OUTLIER 94.16 -79.06 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 113.918 -1.492 . . . . 0.0 110.846 178.664 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.04 -51.87 28.66 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.45 ' CD2' ' CB ' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -71.27 -45.82 62.31 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.24 -1.346 . . . . 0.0 109.71 176.564 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.639 ' HB1' ' HA ' ' A' ' 7' ' ' LYS . . . -46.03 -59.92 2.57 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.15 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.62 80.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.687 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -26.75 -58.6 0.09 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.981 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.557 ' HB3' ' CB ' ' A' ' 16' ' ' SER . 0.1 OUTLIER -67.6 -49.05 64.97 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.454 0.645 . . . . 0.0 111.015 -179.635 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 15' ' ' THR . 23.2 tt0 82.27 91.89 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.593 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 2.0 m 85.58 -1.19 0.78 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.913 -178.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.582 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -108.4 -95.4 0.39 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.21 179.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.792 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -52.96 -49.19 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -178.503 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.681 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.5 tt0 -48.79 -50.16 35.42 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 120.375 1.443 . . . . 0.0 110.209 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -49.18 -45.7 44.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.256 1.027 . . . . 0.0 109.602 178.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.792 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -61.99 -47.12 86.21 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.416 -1.72 . . . . 0.0 111.746 -179.736 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 18' ' ' GLU . 19.2 m -47.39 -46.49 10.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 122.143 -0.348 . . . . 0.0 111.655 -177.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.542 ' N ' HG21 ' A' ' 21' ' ' VAL . 15.4 mt-30 -68.19 -64.76 0.8 Allowed 'General case' 0 C--O 1.241 0.612 0 C-N-CA 120.195 -0.602 . . . . 0.0 112.39 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.487 ' C ' ' NE2' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -49.44 -55.83 11.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.054 0.454 . . . . 0.0 111.246 -179.24 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.775 ' HA ' ' HB3' ' A' ' 27' ' ' ALA . 5.2 m-85 -50.52 -45.37 56.59 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -45.39 -47.18 13.54 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -64.36 -49.04 73.23 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.517 175.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.775 ' HB3' ' HA ' ' A' ' 24' ' ' PHE . . . -40.52 -72.99 0.05 Allowed 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.84 0.829 . . . . 0.0 112.246 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.51 36.65 0.02 OUTLIER Glycine 0 CA--C 1.521 0.431 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.708 ' HB ' ' HB3' ' A' ' 24' ' ' PHE . 1.8 mp -124.63 -178.91 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 125.427 1.491 . . . . 0.0 107.993 -177.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.553 ' HB2' ' HA ' ' A' ' 37' ' ' VAL . 12.5 mtt180 -77.94 159.01 29.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.815 0.734 . . . . 0.0 109.17 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.413 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -84.3 163.49 19.59 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -174.819 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.571 ' HB2' HG23 ' A' ' 21' ' ' VAL . 92.1 p -91.86 176.17 6.62 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 112.919 -1.946 . . . . 0.0 113.363 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 32' ' ' SER . . . 94.81 54.96 0.0 OUTLIER 'General case' 0 C--N 1.339 0.141 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.991 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 13.9 t70 51.49 96.83 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.67 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.474 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 27.9 t0 175.43 -120.51 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.368 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 36.4 m -122.26 124.2 43.22 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.284 -0.885 . . . . 0.0 111.545 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.6 HG13 HG11 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -146.33 178.58 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.817 -178.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 t -107.15 123.67 48.59 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.45 ' CB ' ' CD2' ' A' ' 9' ' ' LEU . . . -89.9 160.82 16.24 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.731 0.3 . . . . 0.0 110.248 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.33 19.44 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.007 0.432 . . . . 0.0 110.165 -178.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.87 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -61.04 -21.06 63.27 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.009 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.566 ' N ' HD13 ' A' ' 20' ' ' LEU . 5.0 mttt 29.74 -60.43 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.276 0.985 . . . . 0.0 113.644 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.87 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -39.22 -19.02 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -179.508 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.607 HG23 ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -47.89 -49.22 30.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.714 0.292 . . . . 0.0 111.275 -179.672 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.482 ' N ' ' CG2' ' A' ' 44' ' ' THR . 74.7 mt -62.53 -55.61 25.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.878 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -64.7 -49.67 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.461 ' N ' ' CG2' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -59.33 -69.71 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.833 -179.12 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.637 ' CE1' ' HB1' ' A' ' 27' ' ' ALA . 69.9 m80 -49.87 -50.02 47.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.74 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.95 -68.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 111.154 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.983 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.842 0.354 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.22 124.52 37.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.476 ' O ' ' O ' ' A' ' 37' ' ' VAL . 9.7 p -141.74 170.6 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.05 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.524 ' HB ' ' O ' ' A' ' 35' ' ' ASP . 18.4 p -73.29 124.52 25.86 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.146 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.661 ' CG1' ' HB ' ' A' ' 37' ' ' VAL . 1.9 pp -91.36 -178.14 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.603 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER 99.84 -77.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 113.225 -1.807 . . . . 0.0 107.947 -178.067 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.3 p -62.77 -39.95 95.77 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -70.63 -44.14 67.82 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 113.023 -1.899 . . . . 0.0 108.391 175.556 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.56 ' HB3' ' CA ' ' A' ' 7' ' ' LYS . . . -44.95 -50.12 10.73 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.708 -178.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.78 -48.42 69.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.251 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 17.5 tt0 -28.11 -58.85 0.12 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.938 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.56 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -64.36 -48.26 76.18 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.806 -179.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.424 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 3.3 tt0 82.44 107.34 0.06 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.987 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 m 66.84 13.95 9.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.349 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.482 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -125.37 -95.88 0.45 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.744 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.88 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.4 p -53.02 -49.06 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.48 ' CB ' ' HB2' ' A' ' 10' ' ' ALA . 17.4 tt0 -49.22 -60.28 2.94 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 120.809 1.641 . . . . 0.0 109.344 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HB3' HD13 ' A' ' 45' ' ' LEU . 4.6 mmt-85 -50.97 -46.43 61.27 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.265 -1.334 . . . . 0.0 109.741 177.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.88 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -50.03 -47.77 53.05 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.138 179.652 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.488 ' N ' HD13 ' A' ' 20' ' ' LEU . 21.6 t -49.3 -49.33 17.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 O-C-N 121.905 -0.497 . . . . 0.0 111.841 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -70.7 0.19 Allowed 'General case' 0 C--O 1.243 0.726 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -178.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.564 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -48.91 -48.28 42.69 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.317 0.58 . . . . 0.0 110.539 -179.298 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.817 ' CZ ' ' HB ' ' A' ' 44' ' ' THR . 8.5 m-85 -51.84 -44.35 63.55 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.805 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -45.37 -46.91 13.41 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.77 -48.88 70.32 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.047 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.626 ' CB ' ' HA ' ' A' ' 24' ' ' PHE . . . -41.04 -72.8 0.06 Allowed 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 121.422 0.63 . . . . 0.0 112.185 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.406 ' N ' HD11 ' A' ' 29' ' ' ILE . . . 146.12 35.39 0.06 OUTLIER Glycine 0 CA--C 1.523 0.557 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.303 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.448 ' CG2' ' H ' ' A' ' 30' ' ' ARG . 2.8 mp -125.61 178.24 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 123.569 0.747 . . . . 0.0 109.321 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.558 ' O ' HG13 ' A' ' 37' ' ' VAL . 5.9 mpt_? -69.34 124.6 24.29 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.045 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -124.76 124.22 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.092 -179.157 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.517 ' H ' ' CG2' ' A' ' 37' ' ' VAL . 0.4 OUTLIER -148.12 177.62 9.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.665 0.745 . . . . 0.0 111.818 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 34' ' ' ASP . . . -129.65 85.53 2.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 177.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.603 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER 78.77 66.57 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -175.241 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.524 ' O ' ' HB ' ' A' ' 5' ' ' THR . 7.2 t0 -174.02 -123.34 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.216 -178.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 p -123.4 123.03 39.76 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.661 ' HB ' ' CG1' ' A' ' 6' ' ' ILE . 19.0 t -145.44 175.74 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 113.413 -1.721 . . . . 0.0 108.283 178.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.528 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 88.6 p -96.15 124.15 40.04 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 121.632 -0.667 . . . . 0.0 109.88 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.83 154.92 20.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.409 ' CG ' ' NH2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 71.57 2.6 4.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.233 -178.696 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.584 ' HB2' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -70.28 -13.79 62.32 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.143 179.114 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -33.41 -35.64 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.155 0.284 . . . . 0.0 111.72 178.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 41' ' ' GLU . 4.5 mm100 -44.88 -45.77 10.47 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.918 0.389 . . . . 0.0 110.655 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.817 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -70.18 -40.67 74.52 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.492 178.035 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.448 ' N ' ' CZ ' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -44.57 -49.36 10.17 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.273 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 1.3 tt -50.87 -46.15 29.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 175.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.585 ' CB ' ' O ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -49.05 -49.19 42.54 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.22 179.218 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.594 ' CE1' ' HB3' ' A' ' 27' ' ' ALA . 73.1 m80 -49.26 -49.48 43.19 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.131 0.491 . . . . 0.0 109.854 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 tp -52.25 -66.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.182 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.898 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.799 0.333 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -123.52 136.44 54.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 37' ' ' VAL . 0.7 OUTLIER -143.72 175.89 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -84.69 124.8 31.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.183 0.516 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.818 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -52.55 146.31 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.839 179.465 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.681 ' CA ' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER 109.55 -74.42 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 125.003 1.439 . . . . 0.0 109.03 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.1 p -57.05 -45.34 83.28 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.441 HD22 ' HB ' ' A' ' 4' ' ' VAL . 9.8 tp -70.45 -46.35 64.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.351 176.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.681 ' HB3' ' CA ' ' A' ' 7' ' ' LYS . . . -46.52 -50.0 17.77 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.277 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.65 -48.78 71.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.621 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -30.62 -66.68 0.1 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.102 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.558 ' HB3' ' CB ' ' A' ' 16' ' ' SER . 3.1 mpt_? -70.14 -49.43 50.71 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.59 0.709 . . . . 0.0 110.577 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 77.21 102.96 0.07 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.661 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 m 78.38 2.92 2.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.438 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.73 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -116.97 -95.53 0.48 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 119.211 -0.423 . . . . 0.0 111.047 179.667 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.771 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 4.0 p -49.38 -49.14 18.39 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 CA-C-O 118.235 -0.888 . . . . 0.0 113.157 -178.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.538 ' O ' HG21 ' A' ' 21' ' ' VAL . 63.5 tt0 -48.39 -53.96 15.75 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 120.541 1.519 . . . . 0.0 108.793 177.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -50.33 -46.14 55.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.986 -1.461 . . . . 0.0 109.972 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.784 ' O ' ' HB2' ' A' ' 24' ' ' PHE . 8.1 mt -56.23 -48.59 76.19 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.998 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.682 HG12 ' HA ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -48.28 -48.09 13.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.197 -178.622 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -70.43 0.22 Allowed 'General case' 0 C--O 1.245 0.82 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.618 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 9.6 mm-40 -48.96 -48.87 42.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.488 0.661 . . . . 0.0 110.007 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.784 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 7.9 m-85 -51.34 -43.98 61.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.288 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -44.99 -46.52 11.19 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 105.188 -2.152 . . . . 0.0 105.188 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.67 -49.36 75.44 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.103 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.703 ' HB3' ' HA ' ' A' ' 24' ' ' PHE . . . -46.13 -71.97 0.06 Allowed 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.786 0.803 . . . . 0.0 111.624 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.23 43.58 0.02 OUTLIER Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.691 ' HB ' ' HB3' ' A' ' 24' ' ' PHE . 1.7 mp -140.61 -178.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 124.28 1.032 . . . . 0.0 109.341 -177.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.486 ' O ' HG13 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -75.07 151.38 38.67 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 121.982 -0.449 . . . . 0.0 110.931 -177.322 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' C ' HG13 ' A' ' 21' ' ' VAL . 3.4 ttpt -86.6 163.29 17.52 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.603 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.614 ' CB ' ' HB ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -91.58 175.49 6.89 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.989 -178.245 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 32' ' ' SER . . . 97.69 46.31 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.948 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 2.0 t0 60.64 108.89 0.02 OUTLIER 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.485 ' N ' ' CG2' ' A' ' 6' ' ' ILE . 4.0 m-20 160.39 -106.75 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.821 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.436 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 49.8 m -119.74 135.78 54.7 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 120.997 -1.064 . . . . 0.0 112.827 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.818 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 12.6 p -140.21 166.71 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.344 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.482 ' N ' ' CG2' ' A' ' 37' ' ' VAL . 6.6 m -124.43 123.33 39.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.304 176.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.18 154.69 20.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.62 0.247 . . . . 0.0 110.551 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 75.28 9.47 3.78 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.559 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -77.94 -21.26 51.33 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.874 179.261 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.571 ' N ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -29.37 -36.11 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -55.39 -55.01 36.52 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.774 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.775 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -62.12 -41.67 98.47 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . 1.5 tm? -45.09 -49.07 11.91 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.717 -0.614 . . . . 0.0 109.405 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.2 mm -49.96 -46.92 23.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 175.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 44' ' ' THR . 1.5 t70 -49.61 -51.03 40.33 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.574 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.618 ' CD2' ' HB3' ' A' ' 23' ' ' GLN . 73.1 m80 -49.68 -49.55 47.06 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.147 0.499 . . . . 0.0 109.951 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.48 -69.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.066 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.859 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.896 0.379 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.93 132.12 46.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.86 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.698 ' O ' ' O ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER -143.38 175.44 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.36 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.4 p -85.41 124.14 31.66 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.825 0.821 . . . . 0.0 111.491 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.641 HG12 ' HA ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -57.25 147.82 5.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 114.119 -1.4 . . . . 0.0 109.902 178.38 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.519 ' HA ' ' CB ' ' A' ' 10' ' ' ALA . 1.7 tmtm? 97.64 -71.08 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.817 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -42.46 69.41 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -70.7 -45.91 64.09 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 113.629 -1.623 . . . . 0.0 108.025 175.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.519 ' CB ' ' HA ' ' A' ' 7' ' ' LYS . . . -46.46 -49.35 18.38 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.408 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.84 -48.86 72.84 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.729 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.531 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 17.0 mm-40 -36.41 -70.25 0.09 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.068 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.488 ' HB3' ' HB2' ' A' ' 16' ' ' SER . 10.0 mmt180 -70.41 -48.9 53.94 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.609 0.719 . . . . 0.0 109.879 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 82.47 -45.04 0.15 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.762 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 t -116.66 6.97 13.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.157 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.488 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -122.41 -87.8 0.63 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.468 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.812 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.7 p -54.69 -48.34 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -178.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.466 ' CB ' ' HB1' ' A' ' 10' ' ' ALA . 28.6 tt0 -47.11 -54.52 10.28 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 121.364 1.893 . . . . 0.0 109.569 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.452 ' HB3' HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -54.08 -47.2 71.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.371 177.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.812 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -54.22 -48.48 71.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.872 -179.447 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.722 HG11 ' HA ' ' A' ' 32' ' ' SER . 2.0 t -48.93 -48.79 16.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -67.81 0.4 Allowed 'General case' 0 C--O 1.245 0.824 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.509 ' CB ' ' HE2' ' A' ' 48' ' ' HIS . 61.6 mm-40 -48.51 -47.97 38.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.516 0.674 . . . . 0.0 109.35 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.884 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 8.2 m-85 -49.51 -44.43 46.21 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.766 179.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -44.99 -46.41 11.14 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 178.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -49.45 76.43 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.213 175.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.884 ' HB2' ' HA ' ' A' ' 24' ' ' PHE . . . -48.84 -76.81 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.555 0.693 . . . . 0.0 112.332 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 170.46 7.13 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.367 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.57 ' HB ' ' HB3' ' A' ' 24' ' ' PHE . 1.4 mp -97.53 -179.04 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 124.914 1.285 . . . . 0.0 107.939 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.653 ' O ' HG22 ' A' ' 37' ' ' VAL . 2.3 tpp85 -77.53 159.93 28.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 119.328 0.967 . . . . 0.0 111.278 -176.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' C ' ' CG1' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -87.67 165.81 15.13 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -177.335 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.722 ' HA ' HG11 ' A' ' 21' ' ' VAL . 1.6 t -85.99 162.45 18.5 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 114.627 -1.17 . . . . 0.0 112.741 -178.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 32' ' ' SER . . . 98.57 46.61 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.46 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.477 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 1.2 t70 66.82 114.09 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.027 0.441 . . . . 0.0 111.202 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.496 ' N ' HG21 ' A' ' 6' ' ' ILE . 7.5 t0 178.31 -144.8 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.332 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 8.1 t -128.24 91.38 3.24 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.391 -0.818 . . . . 0.0 111.253 177.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.698 ' O ' ' O ' ' A' ' 4' ' ' VAL . 0.3 OUTLIER -108.69 176.86 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -178.218 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.508 ' O ' HD11 ' A' ' 20' ' ' LEU . 4.5 m -103.78 124.08 48.24 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.776 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.436 ' HB2' ' HG ' ' A' ' 9' ' ' LEU . . . -84.69 156.06 21.65 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.699 0.285 . . . . 0.0 110.542 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 74.82 0.08 3.46 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.558 ' HB2' HD23 ' A' ' 20' ' ' LEU . 10.0 mm-40 -73.75 -18.07 61.02 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.435 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER -32.46 -35.55 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 179.334 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -49.84 -52.92 28.84 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 179.723 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.641 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -70.14 -41.35 74.01 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.056 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.708 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 0.1 OUTLIER -45.83 -48.89 15.74 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -179.683 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.448 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 66.3 mt -54.98 -45.73 76.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 175.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 44' ' ' THR . 3.8 t70 -48.44 -70.19 0.1 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.621 -1.172 . . . . 0.0 113.014 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.708 ' CE1' ' HA ' ' A' ' 45' ' ' LEU . 13.7 p-80 -65.85 -48.35 71.87 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' CD2' ' N ' ' A' ' 50' ' ' ASN . 4.8 tt -49.25 -70.15 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.702 0.287 . . . . 0.0 111.37 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.424 ' N ' ' CD2' ' A' ' 49' ' ' LEU . 1.8 t30 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.733 0.302 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.07 127.91 36.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.021 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -143.57 175.82 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.22 124.51 33.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.379 0.609 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.795 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -53.36 151.73 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.713 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.73 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 0.2 OUTLIER 97.3 -64.25 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.636 1.21 . . . . 0.0 108.465 -178.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 m -61.21 -46.42 90.53 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.487 ' O ' HG11 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -70.75 -46.87 62.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.134 -1.394 . . . . 0.0 108.267 176.131 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.73 ' HB2' ' HA ' ' A' ' 7' ' ' LYS . . . -46.74 -49.66 19.27 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.538 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' GLU . . . -59.09 -48.69 80.68 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.151 177.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -33.71 -71.55 0.06 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.825 179.435 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 13.2 mmp_? -70.44 -48.59 55.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.656 0.741 . . . . 0.0 109.666 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.421 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 84.23 -48.59 0.11 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.794 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 p -114.46 15.77 17.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.835 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.436 ' HB2' ' CG ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -131.91 -89.22 0.44 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.808 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.8 p -51.18 -49.82 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -177.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.497 ' O ' HG22 ' A' ' 21' ' ' VAL . 33.7 tt0 -48.17 -54.72 12.41 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 121.364 1.893 . . . . 0.0 109.836 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -45.42 78.7 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.182 177.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.808 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -53.31 -48.46 68.4 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 113.978 -1.464 . . . . 0.0 111.84 -178.361 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.635 HG21 ' CG1' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -54.86 -48.94 73.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.462 -179.198 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' CG ' ' HB2' ' A' ' 32' ' ' SER . 33.7 mt-30 -56.4 -68.85 0.18 Allowed 'General case' 0 C--O 1.242 0.709 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.529 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 33.0 mm-40 -48.81 -49.43 39.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.09 0.471 . . . . 0.0 110.205 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.967 ' HA ' ' HB1' ' A' ' 27' ' ' ALA . 6.7 m-85 -52.81 -44.34 66.59 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -45.18 -46.97 12.43 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -62.29 -48.84 78.12 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.878 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.967 ' HB1' ' HA ' ' A' ' 24' ' ' PHE . . . -54.16 -77.4 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.566 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' PHE . . . 171.44 45.41 0.04 OUTLIER Glycine 0 C--N 1.338 0.692 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.324 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.613 ' HB ' ' HB3' ' A' ' 24' ' ' PHE . 1.9 mm -142.19 -178.14 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 123.75 0.82 . . . . 0.0 109.676 -178.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -74.37 147.46 42.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -178.132 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.569 ' C ' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -87.54 167.25 14.11 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -176.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.574 ' HA ' HG13 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -92.66 175.96 6.63 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 114.433 -1.258 . . . . 0.0 112.277 -178.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.661 ' H ' HD12 ' A' ' 6' ' ' ILE . . . 96.4 43.13 0.0 OUTLIER 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.765 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.603 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 6.1 t70 61.35 105.04 0.02 OUTLIER 'General case' 0 C--O 1.231 0.096 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.356 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 34.8 t70 166.71 -109.08 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.558 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.461 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 2.0 p -118.56 136.92 53.58 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.061 -1.024 . . . . 0.0 112.036 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.795 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 11.2 p -139.41 166.76 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.513 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.489 ' N ' ' CG2' ' A' ' 37' ' ' VAL . 1.0 OUTLIER -123.6 123.26 40.19 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.608 176.512 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.56 146.65 31.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.902 0.382 . . . . 0.0 111.208 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.58 2.89 4.46 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.784 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.729 ' O ' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -77.99 -5.59 51.77 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.331 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.432 ' C ' ' H ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -32.73 -25.62 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 179.148 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.587 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -47.75 -13.67 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.538 0.208 . . . . 0.0 111.348 178.712 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.576 ' OG1' ' CE1' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -47.1 -48.66 22.82 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.618 0.246 . . . . 0.0 111.036 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.474 ' N ' ' CG2' ' A' ' 44' ' ' THR . 47.9 mt -49.35 -49.94 42.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.401 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 31.2 mt -70.33 -61.37 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.83 -64.33 0.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.576 ' CE1' ' OG1' ' A' ' 44' ' ' THR . 50.6 m80 -49.71 -49.48 47.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 6.2 mp -53.34 -69.89 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m120 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.874 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.855 0.36 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.8 135.08 42.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.584 ' O ' ' O ' ' A' ' 37' ' ' VAL . 2.9 t -140.44 167.91 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.0 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.0 p -73.13 124.24 25.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.558 0.694 . . . . 0.0 111.448 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.707 HG12 ' HA ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -51.22 149.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.656 178.465 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.506 ' H ' ' HB2' ' A' ' 10' ' ' ALA . 0.4 OUTLIER 97.89 -77.27 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.958 -1.474 . . . . 0.0 109.957 179.376 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.94 -44.26 29.97 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 106.511 -1.662 . . . . 0.0 106.511 177.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.464 ' O ' HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -71.42 -46.93 58.91 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 113.602 -1.636 . . . . 0.0 108.757 175.82 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.506 ' HB2' ' H ' ' A' ' 7' ' ' LYS . . . -46.82 -54.83 9.01 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.061 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' GLU . . . -59.09 -48.46 81.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' ALA . 9.9 tp10 -30.24 -71.54 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.918 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.51 ' HB3' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER -70.51 -49.34 49.35 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.781 179.506 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.422 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 84.79 -28.32 0.09 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.751 -179.473 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.3 p -132.86 8.73 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.011 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.51 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -127.94 -89.27 0.53 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.102 179.746 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.859 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -49.56 -51.15 15.8 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.3 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 4.4 tt0 -48.35 -50.08 31.83 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 121.176 1.807 . . . . 0.0 109.23 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -58.87 -46.51 87.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.966 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.859 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -49.32 -48.54 46.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.985 -1.461 . . . . 0.0 110.442 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.741 HG12 ' CG2' ' A' ' 37' ' ' VAL . 2.5 t -54.13 -50.95 51.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.803 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -61.15 -70.22 0.2 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.58 ' O ' ' NE2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -49.72 -49.57 47.34 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.489 -179.024 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.954 ' HA ' ' HB3' ' A' ' 27' ' ' ALA . 9.4 m-85 -56.56 -45.28 81.36 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -178.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 31' ' ' LYS . . . -45.61 -47.17 14.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.29 -48.98 71.27 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.474 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.954 ' HB3' ' HA ' ' A' ' 24' ' ' PHE . . . -44.39 -72.75 0.05 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.739 0.781 . . . . 0.0 112.086 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 170.76 40.96 0.03 OUTLIER Glycine 0 C--N 1.333 0.404 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.584 ' HB ' ' HB3' ' A' ' 24' ' ' PHE . 1.1 mt -136.28 -175.61 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 113.615 -1.293 . . . . 0.0 108.776 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.649 ' HB2' ' HA ' ' A' ' 37' ' ' VAL . 1.4 mtt-85 -82.03 171.1 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.014 -0.674 . . . . 0.0 111.57 -176.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.457 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 7.4 mptt -87.97 166.6 14.38 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -176.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.707 ' HA ' HG12 ' A' ' 6' ' ' ILE . 27.5 p -100.64 176.04 5.45 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 114.079 -1.419 . . . . 0.0 113.083 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 32' ' ' SER . . . 91.74 55.17 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.615 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 0.4 OUTLIER 58.26 102.87 0.02 OUTLIER 'General case' 0 CA--C 1.527 0.094 0 CA-C-O 120.906 0.384 . . . . 0.0 110.693 -179.8 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' C ' HG22 ' A' ' 6' ' ' ILE . 5.3 t70 175.86 -141.09 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.608 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 6.0 p -120.51 118.4 30.15 Favored 'General case' 0 C--O 1.223 -0.309 0 O-C-N 121.523 -0.735 . . . . 0.0 111.141 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.741 ' CG2' HG12 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -145.42 179.4 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.474 -178.342 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.409 ' O ' HD11 ' A' ' 20' ' ' LEU . 5.0 t -83.02 157.71 22.8 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.399 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.8 144.56 48.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 66.59 6.33 4.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.88 0.371 . . . . 0.0 110.421 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.92 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.2 OUTLIER -55.64 -22.85 24.73 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.364 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.0 OUTLIER 11.61 -48.63 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 178.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.92 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -39.98 -19.79 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.757 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.557 ' HB ' ' CE2' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -48.2 -49.22 33.71 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.861 0.362 . . . . 0.0 110.92 179.549 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' N ' ' CG2' ' A' ' 44' ' ' THR . 1.3 mt -51.5 -53.97 31.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.732 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mp -70.25 -57.15 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.74 -68.1 0.2 Allowed 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.58 ' NE2' ' O ' ' A' ' 23' ' ' GLN . 66.9 m80 -49.84 -49.63 48.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.374 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.0 mt -50.32 -70.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.149 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 m120 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.163 -0.923 . . . . 0.0 111.024 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.735 0.302 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -125.8 131.99 52.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.426 ' HB ' HD23 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -143.66 175.62 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 179.603 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.83 124.75 32.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.501 0.667 . . . . 0.0 111.207 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.924 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 6.0 tp -56.8 155.28 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.337 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.635 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER 96.01 -71.47 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 124.928 1.393 . . . . 0.0 108.634 -179.189 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -43.02 76.32 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 176.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' O ' HG13 ' A' ' 17' ' ' VAL . 6.0 tp -71.05 -47.03 60.81 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 113.962 -1.472 . . . . 0.0 108.589 176.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . . . -46.92 -49.61 20.22 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.644 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.52 81.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.992 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -34.46 -72.52 0.05 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.643 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' HB3' ' CB ' ' A' ' 16' ' ' SER . 1.9 mmm180 -70.8 -48.54 53.62 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.709 0.766 . . . . 0.0 109.511 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 81.3 -52.52 0.29 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.316 -1.311 . . . . 0.0 110.538 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.6 t -106.21 11.33 31.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.851 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -129.76 -91.0 0.46 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.619 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.787 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 3.9 p -49.88 -49.76 20.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.593 ' O ' HG11 ' A' ' 21' ' ' VAL . 1.2 tt0 -48.83 -49.66 38.12 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 121.838 2.108 . . . . 0.0 110.183 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -60.41 -45.31 94.04 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 122.128 0.966 . . . . 0.0 110.232 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.787 ' CD2' ' HA ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -55.27 -49.18 72.74 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 113.588 -1.642 . . . . 0.0 112.171 -177.807 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.708 HG12 HG12 ' A' ' 6' ' ' ILE . 6.7 p -54.91 -47.91 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.43 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.524 ' N ' HG13 ' A' ' 21' ' ' VAL . 34.2 mt-30 -54.29 -69.73 0.12 Allowed 'General case' 0 C--O 1.244 0.776 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.251 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.486 ' O ' ' NE2' ' A' ' 48' ' ' HIS . 1.2 mp0 -49.81 -49.52 48.5 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.653 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.025 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 9.6 m-85 -53.13 -45.38 68.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -45.95 -46.97 16.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 177.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -48.87 75.09 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.182 175.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 1.025 ' HB2' ' HA ' ' A' ' 24' ' ' PHE . . . -48.23 -74.57 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 121.631 0.729 . . . . 0.0 111.521 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 168.13 46.84 0.03 OUTLIER Glycine 0 C--N 1.336 0.529 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.586 HG13 ' CD1' ' A' ' 24' ' ' PHE . 2.1 mm -140.46 -176.7 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.174 -1.013 . . . . 0.0 109.974 -177.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' HG2' ' HB3' ' A' ' 36' ' ' SER . 0.8 OUTLIER -75.51 152.5 37.82 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.516 -177.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' C ' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -84.33 162.24 20.13 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -176.399 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.637 ' N ' HG23 ' A' ' 21' ' ' VAL . 8.1 p -91.66 175.44 6.9 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 114.046 -1.433 . . . . 0.0 113.971 -177.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 32' ' ' SER . . . 89.16 55.08 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 114.066 -1.424 . . . . 0.0 110.752 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.553 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 1.4 t70 58.53 97.73 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.065 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 61.6 t0 173.24 -113.26 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.373 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.44 ' HB3' ' HG2' ' A' ' 30' ' ' ARG . 50.6 m -120.24 137.23 54.34 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.163 -0.961 . . . . 0.0 112.026 177.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.924 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 11.6 p -141.49 170.64 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.036 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.512 ' N ' ' CG2' ' A' ' 37' ' ' VAL . 2.3 t -118.08 123.76 46.41 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 176.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.68 144.26 33.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.93 0.395 . . . . 0.0 111.445 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.88 5.87 5.26 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.013 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.697 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.4 OUTLIER -75.79 -7.98 55.75 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.449 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' THR . 23.4 pttt -24.73 -30.53 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.697 ' N ' ' O ' ' A' ' 41' ' ' GLU . 94.8 mm-40 -44.28 -16.86 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 178.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.574 ' OG1' ' CE1' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -46.88 -48.4 21.13 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.601 0.239 . . . . 0.0 110.904 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' N ' ' CG2' ' A' ' 44' ' ' THR . 22.9 mt -49.17 -49.63 41.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.653 0.263 . . . . 0.0 111.241 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 mt -69.95 -56.4 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -54.66 -68.8 0.16 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.574 ' CE1' ' OG1' ' A' ' 44' ' ' THR . 66.5 m80 -49.48 -49.85 43.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.606 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 6.9 tt -56.66 -70.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.75 0.31 . . . . 0.0 111.271 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m120 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.952 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.728 0.299 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -122.78 134.91 54.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.955 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.43 ' HB ' HD23 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -143.53 175.68 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.715 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.68 125.04 30.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.55 0.691 . . . . 0.0 111.05 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.87 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -56.05 151.72 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.138 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.683 ' CA ' ' HB2' ' A' ' 10' ' ' ALA . 0.1 OUTLIER 103.12 -73.38 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 O-C-N 124.993 1.433 . . . . 0.0 108.917 -179.326 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -58.11 -44.09 87.52 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' O ' HG12 ' A' ' 17' ' ' VAL . 12.7 tp -70.48 -46.08 64.46 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.08 -1.418 . . . . 0.0 108.353 176.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.683 ' HB2' ' CA ' ' A' ' 7' ' ' LYS . . . -45.95 -49.85 15.37 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.013 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' GLU . . . -67.24 -48.51 67.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.318 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 7.9 tm-20 -27.04 -67.61 0.06 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.492 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.51 ' HB3' ' HB2' ' A' ' 16' ' ' SER . 0.1 OUTLIER -70.12 -48.98 55.22 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.7 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 3.7 tp60 81.72 113.88 0.06 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.688 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.3 m 63.01 17.87 10.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.633 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -130.17 -99.76 0.32 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.736 -179.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.78 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 4.4 p -49.21 -48.38 17.86 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-O 117.946 -1.026 . . . . 0.0 113.051 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.639 ' O ' HG13 ' A' ' 21' ' ' VAL . 52.5 tt0 -48.04 -49.85 29.86 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 121.036 1.744 . . . . 0.0 108.447 177.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.491 ' HB2' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -56.02 -45.84 78.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.726 177.292 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.78 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 46.0 mt -53.53 -52.06 60.86 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.22 -1.354 . . . . 0.0 111.629 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 18' ' ' GLU . 9.6 p -49.23 -46.96 18.67 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.626 ' N ' HG12 ' A' ' 21' ' ' VAL . 1.9 tt0 -61.45 -70.4 0.19 Allowed 'General case' 0 C--O 1.242 0.681 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.681 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.464 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 5.3 mt-30 -49.3 -54.48 16.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.991 0.425 . . . . 0.0 110.472 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.962 ' HA ' ' HB3' ' A' ' 27' ' ' ALA . 4.7 m-85 -49.79 -44.72 49.17 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -45.4 -47.15 13.63 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -48.79 75.51 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.995 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.962 ' HB3' ' HA ' ' A' ' 24' ' ' PHE . . . -49.5 -75.12 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.38 0.61 . . . . 0.0 111.576 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.35 44.48 0.04 OUTLIER Glycine 0 C--N 1.335 0.482 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.655 ' HB ' ' HB3' ' A' ' 24' ' ' PHE . 2.6 mm -139.14 -176.37 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 124.258 1.023 . . . . 0.0 109.962 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 36' ' ' SER . 0.5 OUTLIER -75.83 154.64 36.03 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.718 0.294 . . . . 0.0 110.872 -177.359 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.438 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -85.61 164.86 17.47 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -176.794 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.529 ' CB ' ' CG1' ' A' ' 21' ' ' VAL . 4.3 p -90.27 175.13 7.24 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 114.246 -1.343 . . . . 0.0 114.482 -177.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 32' ' ' SER . . . 91.04 48.4 0.0 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.906 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.579 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 4.4 t70 59.85 109.09 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.183 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 28.8 t70 163.09 -105.46 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.562 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 72.8 m -120.24 135.85 54.85 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.16 -0.962 . . . . 0.0 112.284 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.87 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 12.5 p -142.23 171.66 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.041 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.49 ' H ' ' CG2' ' A' ' 37' ' ' VAL . 42.9 t -123.66 123.31 40.26 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 176.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.52 150.14 27.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.978 0.418 . . . . 0.0 111.277 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 63.54 14.62 8.19 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.722 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.873 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -64.55 -18.65 65.04 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.196 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.529 ' N ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 9.12 -53.83 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 O-C-N 124.298 0.999 . . . . 0.0 113.655 178.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.873 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -37.88 -23.28 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.8 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.563 ' OG1' ' CD2' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -48.46 -49.65 34.63 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.108 -179.58 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 44' ' ' THR . 56.7 mt -53.07 -56.3 17.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.694 0.283 . . . . 0.0 111.675 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 2.9 tp -70.2 -49.73 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.453 ' N ' ' CG2' ' A' ' 46' ' ' ILE . 3.1 t0 -57.14 -70.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.486 ' CE1' ' HB1' ' A' ' 27' ' ' ALA . 70.4 m80 -50.23 -51.01 47.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.779 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.98 -70.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.426 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.887 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.864 0.364 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.37 124.92 38.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 37' ' ' VAL . 1.5 t -143.18 175.08 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.529 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -90.02 124.15 34.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.504 0.668 . . . . 0.0 110.606 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.782 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 10.4 tp -66.27 156.01 6.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.203 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.61 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 0.3 OUTLIER 96.84 -79.34 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 113.966 -1.47 . . . . 0.0 109.414 -179.13 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.4 p -52.44 -44.58 65.58 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.583 ' O ' HG13 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -70.86 -46.03 63.39 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 113.754 -1.566 . . . . 0.0 108.244 175.727 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.61 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . . . -46.07 -49.57 16.25 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.723 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.61 -48.73 71.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.106 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.574 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 16.0 mm-40 -31.92 -57.99 0.29 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.831 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.563 ' HB3' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER -68.44 -48.88 63.42 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.131 179.278 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER 86.49 -32.01 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.176 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.6 p -138.86 17.32 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.808 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.563 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -129.6 -88.31 0.51 Allowed 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.598 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.843 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.0 p -53.8 -51.2 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.547 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 1.3 tt0 -48.61 -54.46 14.52 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 121.524 1.965 . . . . 0.0 108.563 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.527 ' HB3' ' CD1' ' A' ' 45' ' ' LEU . 2.9 tpp180 -51.49 -46.12 63.06 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.049 -1.432 . . . . 0.0 109.192 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.843 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -54.19 -49.04 70.26 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 114.288 -1.324 . . . . 0.0 111.607 -179.498 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.547 ' CG1' ' O ' ' A' ' 18' ' ' GLU . 10.5 p -49.69 -47.33 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 119.162 0.892 . . . . 0.0 111.492 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.49 ' N ' HG13 ' A' ' 21' ' ' VAL . 5.5 pt20 -63.04 -70.28 0.22 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.521 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 21.8 mm-40 -49.4 -48.85 46.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.573 0.702 . . . . 0.0 110.484 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.756 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 10.7 m-85 -52.68 -44.49 66.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.818 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -45.53 -46.71 14.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -62.19 -48.92 77.9 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.593 -1.185 . . . . 0.0 108.853 174.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.583 ' CB ' ' HA ' ' A' ' 24' ' ' PHE . . . -41.02 -77.07 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.998 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.37 10.95 0.06 OUTLIER Glycine 0 CA--C 1.529 0.91 0 CA-C-N 115.747 -0.661 . . . . 0.0 113.099 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.59 ' CG1' ' HB3' ' A' ' 24' ' ' PHE . 5.0 pt -102.46 179.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 C-N-CA 123.015 0.526 . . . . 0.0 110.269 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.607 ' O ' HG11 ' A' ' 37' ' ' VAL . 1.5 mtt85 -69.44 123.8 22.22 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.188 -178.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -125.72 123.26 38.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.466 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.571 ' CB ' ' HB3' ' A' ' 35' ' ' ASP . 1.1 m -148.74 177.31 9.63 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.453 0.644 . . . . 0.0 111.542 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.59 90.94 3.44 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.544 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 10.8 t70 69.29 67.29 0.26 Allowed 'General case' 0 C--O 1.231 0.124 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -176.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.571 ' HB3' ' CB ' ' A' ' 32' ' ' SER . 49.6 t0 -168.62 -113.56 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.683 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.95 121.18 29.23 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.782 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 54.8 t -145.24 175.59 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.986 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.506 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 8.4 t -99.52 123.64 43.98 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.418 ' HA ' HD22 ' A' ' 20' ' ' LEU . . . -86.87 154.62 20.72 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 72.25 5.25 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.394 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.53 ' HB2' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -71.69 -17.7 62.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.281 179.277 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.39 -36.74 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' GLU . 60.1 mt-30 -45.67 -44.88 13.75 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.129 0.49 . . . . 0.0 110.657 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.736 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -67.2 -40.69 86.53 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.337 178.429 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.527 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 1.1 tt -44.62 -48.86 10.47 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.7 mt -49.81 -46.74 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 175.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' A' ' 44' ' ' THR . 3.5 t0 -49.07 -49.18 42.84 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.15 -1.386 . . . . 0.0 111.274 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.53 ' CE1' ' HB1' ' A' ' 27' ' ' ALA . 70.1 m80 -48.9 -49.47 39.7 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.152 0.501 . . . . 0.0 109.801 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 tp -51.46 -70.0 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.274 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.828 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.92 0.39 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -120.12 126.88 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.531 ' O ' HG11 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -143.7 176.13 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -87.24 124.52 33.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.148 0.499 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.774 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -51.72 150.82 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.287 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.682 ' H ' ' HB2' ' A' ' 10' ' ' ALA . 0.3 OUTLIER 97.6 -64.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 125.144 1.528 . . . . 0.0 108.502 -179.244 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 m -58.44 -45.98 87.46 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.527 ' O ' HG11 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -71.04 -46.53 61.89 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.321 175.738 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.682 ' HB2' ' H ' ' A' ' 7' ' ' LYS . . . -46.53 -49.6 18.37 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.868 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -48.49 80.33 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -31.48 -70.29 0.07 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.704 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.557 ' HB3' ' HB2' ' A' ' 16' ' ' SER . 0.1 OUTLIER -70.24 -49.2 52.41 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.581 179.409 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 7.8 tp60 85.84 -32.14 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.905 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 m -132.76 11.49 4.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.961 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.557 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -129.62 -88.29 0.51 Allowed 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.87 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.7 p -49.89 -49.41 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.558 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 2.1 tt0 -48.55 -60.25 2.85 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 121.053 1.751 . . . . 0.0 109.651 178.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -46.25 56.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.445 -1.252 . . . . 0.0 110.826 178.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.87 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -56.0 -48.9 75.05 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.59 -1.187 . . . . 0.0 111.01 -178.643 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.594 HG21 ' CG1' ' A' ' 6' ' ' ILE . 0.8 OUTLIER -49.56 -48.83 19.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 O-C-N 121.953 -0.467 . . . . 0.0 111.984 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -60.91 -70.5 0.18 Allowed 'General case' 0 C--O 1.246 0.874 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.524 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -48.69 -47.45 40.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.917 0.865 . . . . 0.0 109.79 -179.463 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.861 ' CZ ' ' HB ' ' A' ' 44' ' ' THR . 2.3 m-85 -51.16 -44.04 61.39 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.135 -1.393 . . . . 0.0 111.76 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -45.17 -46.83 12.31 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 177.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.38 -49.2 72.54 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.079 175.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.594 ' CB ' ' HA ' ' A' ' 24' ' ' PHE . . . -44.97 -71.43 0.08 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.755 0.788 . . . . 0.0 111.681 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.87 43.74 0.02 OUTLIER Glycine 0 C--N 1.33 0.21 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.586 ' HB ' ' HB3' ' A' ' 24' ' ' PHE . 1.8 mm -136.71 -176.65 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 113.796 -1.202 . . . . 0.0 109.916 -176.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.455 ' O ' HG12 ' A' ' 21' ' ' VAL . 20.8 mmt180 -73.91 149.21 41.6 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.949 -0.301 . . . . 0.0 110.717 -177.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.512 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -81.91 159.16 23.71 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.43 1.081 . . . . 0.0 113.839 -177.323 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.486 ' CB ' ' HB ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -92.53 176.18 6.55 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.289 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.717 ' H ' HD12 ' A' ' 6' ' ' ILE . . . 92.16 47.25 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.788 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.534 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 10.2 t0 60.05 103.98 0.02 OUTLIER 'General case' 0 C--O 1.23 0.064 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.038 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.52 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 60.8 t0 168.55 -109.71 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.639 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 2.2 p -117.44 137.09 52.74 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 120.928 -1.107 . . . . 0.0 112.241 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.774 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 7.9 p -139.2 165.2 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.166 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.477 ' N ' ' CG2' ' A' ' 37' ' ' VAL . 30.5 t -123.51 122.84 39.25 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.402 ' CB ' HD12 ' A' ' 9' ' ' LEU . . . -83.81 153.91 23.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.722 0.296 . . . . 0.0 110.741 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.22 15.84 9.36 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.591 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 1.1 mm-40 -96.99 -21.48 17.39 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.451 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.67 -32.5 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -46.52 -51.16 16.02 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 111.126 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.861 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -56.89 -40.77 76.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.974 178.639 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.498 ' N ' ' CE1' ' A' ' 24' ' ' PHE . 3.4 tm? -44.89 -48.99 11.21 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -178.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.439 HD11 HG23 ' A' ' 46' ' ' ILE . 53.9 mt -49.82 -46.99 22.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 175.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 44' ' ' THR . 4.3 t0 -49.82 -51.97 35.78 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.597 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.562 ' CE1' ' HB1' ' A' ' 27' ' ' ALA . 71.9 m80 -49.69 -49.68 46.68 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 121.084 0.469 . . . . 0.0 109.868 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.07 -69.86 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.157 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.812 0.339 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -84.6 127.78 34.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.476 ' O ' ' O ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER -144.09 175.82 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.141 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.85 124.56 25.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.954 0.883 . . . . 0.0 112.736 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.594 HD13 HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -56.46 154.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 113.763 -1.562 . . . . 0.0 110.735 178.018 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.639 ' HA ' ' HB1' ' A' ' 10' ' ' ALA . 0.1 OUTLIER 94.16 -79.06 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 113.918 -1.492 . . . . 0.0 110.846 178.664 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.04 -51.87 28.66 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.45 ' CD2' ' CB ' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -71.27 -45.82 62.31 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.24 -1.346 . . . . 0.0 109.71 176.564 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.639 ' HB1' ' HA ' ' A' ' 7' ' ' LYS . . . -46.03 -59.92 2.57 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.15 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.62 80.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.687 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -26.75 -58.6 0.09 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.981 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.557 ' HB3' ' CB ' ' A' ' 16' ' ' SER . 0.1 OUTLIER -67.6 -49.05 64.97 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.454 0.645 . . . . 0.0 111.015 -179.635 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 15' ' ' THR . 23.2 tt0 82.27 91.89 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.593 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 2.0 m 85.58 -1.19 0.78 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.913 -178.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.582 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -108.4 -95.4 0.39 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.21 179.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.792 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -52.96 -49.19 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -178.503 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.681 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.5 tt0 -48.79 -50.16 35.42 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 120.375 1.443 . . . . 0.0 110.209 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -49.18 -45.7 44.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.256 1.027 . . . . 0.0 109.602 178.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.792 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -61.99 -47.12 86.21 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.416 -1.72 . . . . 0.0 111.746 -179.736 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 18' ' ' GLU . 19.2 m -47.39 -46.49 10.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 122.143 -0.348 . . . . 0.0 111.655 -177.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.542 ' N ' HG21 ' A' ' 21' ' ' VAL . 15.4 mt-30 -68.19 -64.76 0.8 Allowed 'General case' 0 C--O 1.241 0.612 0 C-N-CA 120.195 -0.602 . . . . 0.0 112.39 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.487 ' C ' ' NE2' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -49.44 -55.83 11.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.054 0.454 . . . . 0.0 111.246 -179.24 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.775 ' HA ' ' HB3' ' A' ' 27' ' ' ALA . 5.2 m-85 -50.52 -45.37 56.59 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -45.39 -47.18 13.54 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -64.36 -49.04 73.23 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.517 175.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.775 ' HB3' ' HA ' ' A' ' 24' ' ' PHE . . . -40.52 -72.99 0.05 Allowed 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.84 0.829 . . . . 0.0 112.246 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.51 36.65 0.02 OUTLIER Glycine 0 CA--C 1.521 0.431 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.708 ' HB ' ' HB3' ' A' ' 24' ' ' PHE . 1.8 mp -124.63 -178.91 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 125.427 1.491 . . . . 0.0 107.993 -177.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.553 ' HB2' ' HA ' ' A' ' 37' ' ' VAL . 12.5 mtt180 -77.94 159.01 29.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.815 0.734 . . . . 0.0 109.17 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -84.3 163.49 19.59 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -174.819 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.571 ' HB2' HG23 ' A' ' 21' ' ' VAL . 92.1 p -91.86 176.17 6.62 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 112.919 -1.946 . . . . 0.0 113.363 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 32' ' ' SER . . . 94.81 54.96 0.0 OUTLIER 'General case' 0 C--N 1.339 0.141 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.991 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 35' ' ' ASP . 13.9 t70 51.49 96.83 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.67 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.474 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 27.9 t0 175.43 -120.51 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.368 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 36.4 m -122.26 124.2 43.22 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.284 -0.885 . . . . 0.0 111.545 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.6 HG13 HG11 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -146.33 178.58 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.817 -178.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 t -107.15 123.67 48.59 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.45 ' CB ' ' CD2' ' A' ' 9' ' ' LEU . . . -89.9 160.82 16.24 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.731 0.3 . . . . 0.0 110.248 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.33 19.44 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.007 0.432 . . . . 0.0 110.165 -178.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.87 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -61.04 -21.06 63.27 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.009 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.566 ' N ' HD13 ' A' ' 20' ' ' LEU . 5.0 mttt 29.74 -60.43 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.276 0.985 . . . . 0.0 113.644 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.87 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -39.22 -19.02 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -179.508 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.607 HG23 ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -47.89 -49.22 30.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.714 0.292 . . . . 0.0 111.275 -179.672 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.482 ' N ' ' CG2' ' A' ' 44' ' ' THR . 74.7 mt -62.53 -55.61 25.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.878 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -64.7 -49.67 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.461 ' N ' ' CG2' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -59.33 -69.71 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.833 -179.12 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.637 ' CE1' ' HB1' ' A' ' 27' ' ' ALA . 69.9 m80 -49.87 -50.02 47.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.74 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.95 -68.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 111.154 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.983 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.842 0.354 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.22 124.52 37.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.476 ' O ' ' O ' ' A' ' 37' ' ' VAL . 9.7 p -141.74 170.6 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.05 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.524 ' HB ' ' O ' ' A' ' 35' ' ' ASP . 18.4 p -73.29 124.52 25.86 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.146 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.661 ' CG1' ' HB ' ' A' ' 37' ' ' VAL . 1.9 pp -91.36 -178.14 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.603 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER 99.84 -77.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 113.225 -1.807 . . . . 0.0 107.947 -178.067 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.3 p -62.77 -39.95 95.77 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -70.63 -44.14 67.82 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 113.023 -1.899 . . . . 0.0 108.391 175.556 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.56 ' HB3' ' CA ' ' A' ' 7' ' ' LYS . . . -44.95 -50.12 10.73 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.708 -178.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.78 -48.42 69.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.251 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 17.5 tt0 -28.11 -58.85 0.12 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.938 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.56 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -64.36 -48.26 76.18 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.806 -179.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.424 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 3.3 tt0 82.44 107.34 0.06 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.987 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 m 66.84 13.95 9.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.349 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.482 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -125.37 -95.88 0.45 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.744 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.88 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.4 p -53.02 -49.06 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' CB ' ' HB2' ' A' ' 10' ' ' ALA . 17.4 tt0 -49.22 -60.28 2.94 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 120.809 1.641 . . . . 0.0 109.344 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HB3' HD13 ' A' ' 45' ' ' LEU . 4.6 mmt-85 -50.97 -46.43 61.27 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.265 -1.334 . . . . 0.0 109.741 177.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.88 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -50.03 -47.77 53.05 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.138 179.652 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.488 ' N ' HD13 ' A' ' 20' ' ' LEU . 21.6 t -49.3 -49.33 17.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 O-C-N 121.905 -0.497 . . . . 0.0 111.841 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -70.7 0.19 Allowed 'General case' 0 C--O 1.243 0.726 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -178.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.564 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -48.91 -48.28 42.69 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.317 0.58 . . . . 0.0 110.539 -179.298 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.817 ' CZ ' ' HB ' ' A' ' 44' ' ' THR . 8.5 m-85 -51.84 -44.35 63.55 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.805 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -45.37 -46.91 13.41 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.77 -48.88 70.32 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.047 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.626 ' CB ' ' HA ' ' A' ' 24' ' ' PHE . . . -41.04 -72.8 0.06 Allowed 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 121.422 0.63 . . . . 0.0 112.185 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' N ' HD11 ' A' ' 29' ' ' ILE . . . 146.12 35.39 0.06 OUTLIER Glycine 0 CA--C 1.523 0.557 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.303 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.448 ' CG2' ' H ' ' A' ' 30' ' ' ARG . 2.8 mp -125.61 178.24 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 123.569 0.747 . . . . 0.0 109.321 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.558 ' O ' HG13 ' A' ' 37' ' ' VAL . 5.9 mpt_? -69.34 124.6 24.29 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.045 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -124.76 124.22 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.092 -179.157 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.517 ' H ' ' CG2' ' A' ' 37' ' ' VAL . 0.4 OUTLIER -148.12 177.62 9.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.665 0.745 . . . . 0.0 111.818 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 34' ' ' ASP . . . -129.65 85.53 2.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 177.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.603 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER 78.77 66.57 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -175.241 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.524 ' O ' ' HB ' ' A' ' 5' ' ' THR . 7.2 t0 -174.02 -123.34 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.216 -178.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 p -123.4 123.03 39.76 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.661 ' HB ' ' CG1' ' A' ' 6' ' ' ILE . 19.0 t -145.44 175.74 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 113.413 -1.721 . . . . 0.0 108.283 178.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.528 ' N ' ' CG1' ' A' ' 37' ' ' VAL . 88.6 p -96.15 124.15 40.04 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 121.632 -0.667 . . . . 0.0 109.88 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.83 154.92 20.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.409 ' CG ' ' NH2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 71.57 2.6 4.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.233 -178.696 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.584 ' HB2' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -70.28 -13.79 62.32 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.143 179.114 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -33.41 -35.64 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.155 0.284 . . . . 0.0 111.72 178.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 41' ' ' GLU . 4.5 mm100 -44.88 -45.77 10.47 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.918 0.389 . . . . 0.0 110.655 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.817 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -70.18 -40.67 74.52 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.492 178.035 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.448 ' N ' ' CZ ' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -44.57 -49.36 10.17 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.273 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 1.3 tt -50.87 -46.15 29.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 175.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.585 ' CB ' ' O ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -49.05 -49.19 42.54 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.22 179.218 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.594 ' CE1' ' HB3' ' A' ' 27' ' ' ALA . 73.1 m80 -49.26 -49.48 43.19 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.131 0.491 . . . . 0.0 109.854 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 tp -52.25 -66.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.182 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.898 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.799 0.333 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -123.52 136.44 54.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 37' ' ' VAL . 0.7 OUTLIER -143.72 175.89 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -84.69 124.8 31.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.183 0.516 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.818 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -52.55 146.31 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.839 179.465 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.681 ' CA ' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER 109.55 -74.42 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 125.003 1.439 . . . . 0.0 109.03 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.1 p -57.05 -45.34 83.28 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.441 HD22 ' HB ' ' A' ' 4' ' ' VAL . 9.8 tp -70.45 -46.35 64.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.351 176.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.681 ' HB3' ' CA ' ' A' ' 7' ' ' LYS . . . -46.52 -50.0 17.77 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.277 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.65 -48.78 71.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.621 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -30.62 -66.68 0.1 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.102 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.558 ' HB3' ' CB ' ' A' ' 16' ' ' SER . 3.1 mpt_? -70.14 -49.43 50.71 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.59 0.709 . . . . 0.0 110.577 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 77.21 102.96 0.07 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.661 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 m 78.38 2.92 2.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.438 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.73 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -116.97 -95.53 0.48 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 119.211 -0.423 . . . . 0.0 111.047 179.667 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.771 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 4.0 p -49.38 -49.14 18.39 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 CA-C-O 118.235 -0.888 . . . . 0.0 113.157 -178.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.538 ' O ' HG21 ' A' ' 21' ' ' VAL . 63.5 tt0 -48.39 -53.96 15.75 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 120.541 1.519 . . . . 0.0 108.793 177.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -50.33 -46.14 55.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.986 -1.461 . . . . 0.0 109.972 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.784 ' O ' ' HB2' ' A' ' 24' ' ' PHE . 8.1 mt -56.23 -48.59 76.19 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.998 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.682 HG12 ' HA ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -48.28 -48.09 13.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.197 -178.622 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -70.43 0.22 Allowed 'General case' 0 C--O 1.245 0.82 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.618 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 9.6 mm-40 -48.96 -48.87 42.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.488 0.661 . . . . 0.0 110.007 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.784 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 7.9 m-85 -51.34 -43.98 61.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.288 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -44.99 -46.52 11.19 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 105.188 -2.152 . . . . 0.0 105.188 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.67 -49.36 75.44 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.103 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.703 ' HB3' ' HA ' ' A' ' 24' ' ' PHE . . . -46.13 -71.97 0.06 Allowed 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.786 0.803 . . . . 0.0 111.624 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.23 43.58 0.02 OUTLIER Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.691 ' HB ' ' HB3' ' A' ' 24' ' ' PHE . 1.7 mp -140.61 -178.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 124.28 1.032 . . . . 0.0 109.341 -177.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.486 ' O ' HG13 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -75.07 151.38 38.67 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 121.982 -0.449 . . . . 0.0 110.931 -177.322 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' C ' HG13 ' A' ' 21' ' ' VAL . 3.4 ttpt -86.6 163.29 17.52 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.603 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.614 ' CB ' ' HB ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -91.58 175.49 6.89 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.989 -178.245 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 32' ' ' SER . . . 97.69 46.31 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.948 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 2.0 t0 60.64 108.89 0.02 OUTLIER 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.485 ' N ' ' CG2' ' A' ' 6' ' ' ILE . 4.0 m-20 160.39 -106.75 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.821 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.436 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 49.8 m -119.74 135.78 54.7 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 120.997 -1.064 . . . . 0.0 112.827 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.818 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 12.6 p -140.21 166.71 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.344 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.482 ' N ' ' CG2' ' A' ' 37' ' ' VAL . 6.6 m -124.43 123.33 39.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.304 176.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.18 154.69 20.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.62 0.247 . . . . 0.0 110.551 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 75.28 9.47 3.78 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.559 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -77.94 -21.26 51.33 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.874 179.261 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.571 ' N ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -29.37 -36.11 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -55.39 -55.01 36.52 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.774 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.775 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -62.12 -41.67 98.47 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . 1.5 tm? -45.09 -49.07 11.91 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.717 -0.614 . . . . 0.0 109.405 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.2 mm -49.96 -46.92 23.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 175.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 44' ' ' THR . 1.5 t70 -49.61 -51.03 40.33 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.574 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.618 ' CD2' ' HB3' ' A' ' 23' ' ' GLN . 73.1 m80 -49.68 -49.55 47.06 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.147 0.499 . . . . 0.0 109.951 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.48 -69.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.066 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.859 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.896 0.379 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.93 132.12 46.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.86 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.698 ' O ' ' O ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER -143.38 175.44 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.36 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.4 p -85.41 124.14 31.66 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.825 0.821 . . . . 0.0 111.491 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.641 HG12 ' HA ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -57.25 147.82 5.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 114.119 -1.4 . . . . 0.0 109.902 178.38 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.519 ' HA ' ' CB ' ' A' ' 10' ' ' ALA . 1.7 tmtm? 97.64 -71.08 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.817 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -42.46 69.41 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -70.7 -45.91 64.09 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 113.629 -1.623 . . . . 0.0 108.025 175.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.519 ' CB ' ' HA ' ' A' ' 7' ' ' LYS . . . -46.46 -49.35 18.38 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.408 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.84 -48.86 72.84 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.729 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.531 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 17.0 mm-40 -36.41 -70.25 0.09 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.068 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.488 ' HB3' ' HB2' ' A' ' 16' ' ' SER . 10.0 mmt180 -70.41 -48.9 53.94 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.609 0.719 . . . . 0.0 109.879 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 82.47 -45.04 0.15 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.762 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 t -116.66 6.97 13.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.157 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.488 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -122.41 -87.8 0.63 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.468 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.812 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.7 p -54.69 -48.34 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -178.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.466 ' CB ' ' HB1' ' A' ' 10' ' ' ALA . 28.6 tt0 -47.11 -54.52 10.28 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 121.364 1.893 . . . . 0.0 109.569 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.452 ' HB3' HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -54.08 -47.2 71.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.371 177.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.812 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -54.22 -48.48 71.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.872 -179.447 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.722 HG11 ' HA ' ' A' ' 32' ' ' SER . 2.0 t -48.93 -48.79 16.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -67.81 0.4 Allowed 'General case' 0 C--O 1.245 0.824 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.509 ' CB ' ' HE2' ' A' ' 48' ' ' HIS . 61.6 mm-40 -48.51 -47.97 38.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.516 0.674 . . . . 0.0 109.35 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.884 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 8.2 m-85 -49.51 -44.43 46.21 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.766 179.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -44.99 -46.41 11.14 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 178.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -49.45 76.43 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.213 175.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.884 ' HB2' ' HA ' ' A' ' 24' ' ' PHE . . . -48.84 -76.81 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.555 0.693 . . . . 0.0 112.332 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 170.46 7.13 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.367 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.57 ' HB ' ' HB3' ' A' ' 24' ' ' PHE . 1.4 mp -97.53 -179.04 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 124.914 1.285 . . . . 0.0 107.939 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.653 ' O ' HG22 ' A' ' 37' ' ' VAL . 2.3 tpp85 -77.53 159.93 28.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 119.328 0.967 . . . . 0.0 111.278 -176.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' C ' ' CG1' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -87.67 165.81 15.13 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -177.335 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.722 ' HA ' HG11 ' A' ' 21' ' ' VAL . 1.6 t -85.99 162.45 18.5 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 114.627 -1.17 . . . . 0.0 112.741 -178.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 32' ' ' SER . . . 98.57 46.61 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.46 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.477 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 1.2 t70 66.82 114.09 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.027 0.441 . . . . 0.0 111.202 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.496 ' N ' HG21 ' A' ' 6' ' ' ILE . 7.5 t0 178.31 -144.8 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.332 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 8.1 t -128.24 91.38 3.24 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.391 -0.818 . . . . 0.0 111.253 177.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.698 ' O ' ' O ' ' A' ' 4' ' ' VAL . 0.3 OUTLIER -108.69 176.86 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -178.218 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.508 ' O ' HD11 ' A' ' 20' ' ' LEU . 4.5 m -103.78 124.08 48.24 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.776 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.436 ' HB2' ' HG ' ' A' ' 9' ' ' LEU . . . -84.69 156.06 21.65 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.699 0.285 . . . . 0.0 110.542 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 74.82 0.08 3.46 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.558 ' HB2' HD23 ' A' ' 20' ' ' LEU . 10.0 mm-40 -73.75 -18.07 61.02 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.435 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER -32.46 -35.55 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 179.334 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -49.84 -52.92 28.84 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 179.723 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.641 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -70.14 -41.35 74.01 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.056 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.708 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 0.1 OUTLIER -45.83 -48.89 15.74 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -179.683 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.448 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 66.3 mt -54.98 -45.73 76.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 175.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 44' ' ' THR . 3.8 t70 -48.44 -70.19 0.1 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.621 -1.172 . . . . 0.0 113.014 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.708 ' CE1' ' HA ' ' A' ' 45' ' ' LEU . 13.7 p-80 -65.85 -48.35 71.87 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' CD2' ' N ' ' A' ' 50' ' ' ASN . 4.8 tt -49.25 -70.15 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.702 0.287 . . . . 0.0 111.37 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.424 ' N ' ' CD2' ' A' ' 49' ' ' LEU . 1.8 t30 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.733 0.302 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.07 127.91 36.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.021 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.547 ' HB ' HD12 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -143.57 175.82 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.468 ' H ' HG12 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -88.22 124.51 33.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.379 0.609 . . . . 0.0 110.936 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.944 HD13 ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -53.36 151.73 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.713 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.944 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER 97.3 -64.25 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.636 1.21 . . . . 0.0 108.465 -178.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 m -61.21 -46.42 90.53 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.995 HD11 ' HB2' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -70.75 -46.87 62.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.134 -1.394 . . . . 0.0 108.267 176.131 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.804 ' HB1' ' CG ' ' A' ' 18' ' ' GLU . . . -46.74 -49.66 19.27 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.538 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' GLU . . . -59.09 -48.69 80.68 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.151 177.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -33.71 -71.55 0.06 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.825 179.435 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.878 ' HB2' HG12 ' A' ' 17' ' ' VAL . 13.2 mmp_? -70.44 -48.59 55.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.656 0.741 . . . . 0.0 109.666 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.421 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 84.23 -48.59 0.11 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.794 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 p -114.46 15.77 17.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.835 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.439 ' HB2' ' CG ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -131.91 -89.22 0.44 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.908 ' HA ' HD23 ' A' ' 20' ' ' LEU . 2.8 p -51.18 -49.82 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -177.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.804 ' CG ' ' HB1' ' A' ' 10' ' ' ALA . 33.7 tt0 -48.17 -54.72 12.41 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 121.364 1.893 . . . . 0.0 109.836 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -45.42 78.7 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.182 177.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.908 HD23 ' HA ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -53.31 -48.46 68.4 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 113.978 -1.464 . . . . 0.0 111.84 -178.361 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.906 HG22 HG23 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -54.86 -48.94 73.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.462 -179.198 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.444 ' CG ' ' HB2' ' A' ' 32' ' ' SER . 33.7 mt-30 -56.4 -68.85 0.18 Allowed 'General case' 0 C--O 1.242 0.709 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.539 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 33.0 mm-40 -48.81 -49.43 39.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.09 0.471 . . . . 0.0 110.205 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.744 ' HE2' ' O ' ' A' ' 41' ' ' GLU . 6.7 m-85 -52.81 -44.34 66.59 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -45.18 -46.97 12.43 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -62.29 -48.84 78.12 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.878 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.994 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -54.16 -77.4 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.566 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.88 ' O ' HD13 ' A' ' 29' ' ' ILE . . . 171.44 45.41 0.04 OUTLIER Glycine 0 C--N 1.338 0.692 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.324 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.88 HD13 ' O ' ' A' ' 28' ' ' GLY . 1.9 mm -142.19 -178.14 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 123.75 0.82 . . . . 0.0 109.676 -178.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.709 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -74.37 147.46 42.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -178.132 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG2' ' HB1' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -87.54 167.25 14.11 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -176.742 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.603 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -92.66 175.96 6.63 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 114.433 -1.258 . . . . 0.0 112.277 -178.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.666 ' H ' HD12 ' A' ' 6' ' ' ILE . . . 96.4 43.13 0.0 OUTLIER 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.765 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.634 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 6.1 t70 61.35 105.04 0.02 OUTLIER 'General case' 0 C--O 1.231 0.096 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.356 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.589 ' N ' HG22 ' A' ' 6' ' ' ILE . 34.8 t70 166.71 -109.08 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.558 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.447 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 2.0 p -118.56 136.92 53.58 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.061 -1.024 . . . . 0.0 112.036 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.906 HG23 HG22 ' A' ' 21' ' ' VAL . 11.2 p -139.41 166.76 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.513 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.884 ' O ' HD21 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -123.6 123.26 40.19 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.608 176.512 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.995 ' HB2' HD11 ' A' ' 9' ' ' LEU . . . -80.56 146.65 31.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.902 0.382 . . . . 0.0 111.208 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.58 2.89 4.46 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.784 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.822 ' HB3' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -77.99 -5.59 51.77 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.331 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.529 ' N ' HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -32.73 -25.62 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 179.148 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.587 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -47.75 -13.67 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.538 0.208 . . . . 0.0 111.348 178.712 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.576 ' OG1' ' CE1' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -47.1 -48.66 22.82 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.618 0.246 . . . . 0.0 111.036 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.754 ' O ' HD13 ' A' ' 49' ' ' LEU . 47.9 mt -49.35 -49.94 42.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.401 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 31.2 mt -70.33 -61.37 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.83 -64.33 0.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.994 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 50.6 m80 -49.71 -49.48 47.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.754 HD13 ' O ' ' A' ' 45' ' ' LEU . 6.2 mp -53.34 -69.89 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.874 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.855 0.36 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.8 135.08 42.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.68 ' CG1' HD23 ' A' ' 9' ' ' LEU . 2.9 t -140.44 167.91 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.0 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.515 ' H ' HG12 ' A' ' 4' ' ' VAL . 40.0 p -73.13 124.24 25.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.558 0.694 . . . . 0.0 111.448 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.957 HD13 HG21 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -51.22 149.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.656 178.465 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.695 ' H ' HD12 ' A' ' 6' ' ' ILE . 0.4 OUTLIER 97.89 -77.27 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.958 -1.474 . . . . 0.0 109.957 179.376 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.94 -44.26 29.97 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 106.511 -1.662 . . . . 0.0 106.511 177.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.759 ' HB3' HG21 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -71.42 -46.93 58.91 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 113.602 -1.636 . . . . 0.0 108.757 175.82 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.789 ' HB2' HD12 ' A' ' 6' ' ' ILE . . . -46.82 -54.83 9.01 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.061 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' GLU . . . -59.09 -48.46 81.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' ALA . 9.9 tp10 -30.24 -71.54 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.918 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.667 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -70.51 -49.34 49.35 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.781 179.506 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.422 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 84.79 -28.32 0.09 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.751 -179.473 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.3 p -132.86 8.73 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.011 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.526 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -127.94 -89.27 0.53 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.102 179.746 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.921 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -49.56 -51.15 15.8 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.3 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' N ' ' HA ' ' A' ' 10' ' ' ALA . 4.4 tt0 -48.35 -50.08 31.83 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 121.176 1.807 . . . . 0.0 109.23 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -58.87 -46.51 87.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.966 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.921 HD23 ' HA ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -49.32 -48.54 46.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.985 -1.461 . . . . 0.0 110.442 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.989 HG13 HG21 ' A' ' 37' ' ' VAL . 2.5 t -54.13 -50.95 51.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.803 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -61.15 -70.22 0.2 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.58 ' O ' ' NE2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -49.72 -49.57 47.34 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.489 -179.024 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.696 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 9.4 m-85 -56.56 -45.28 81.36 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -178.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.818 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -45.61 -47.17 14.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.29 -48.98 71.27 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.474 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.922 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . . . -44.39 -72.75 0.05 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.739 0.781 . . . . 0.0 112.086 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 170.76 40.96 0.03 OUTLIER Glycine 0 C--N 1.333 0.404 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.782 HG22 ' H ' ' A' ' 30' ' ' ARG . 1.1 mt -136.28 -175.61 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 113.615 -1.293 . . . . 0.0 108.776 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.782 ' H ' HG22 ' A' ' 29' ' ' ILE . 1.4 mtt-85 -82.03 171.1 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.014 -0.674 . . . . 0.0 111.57 -176.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.818 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 7.4 mptt -87.97 166.6 14.38 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -176.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.713 ' HA ' HG12 ' A' ' 6' ' ' ILE . 27.5 p -100.64 176.04 5.45 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 114.079 -1.419 . . . . 0.0 113.083 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 91.74 55.17 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.615 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 0.4 OUTLIER 58.26 102.87 0.02 OUTLIER 'General case' 0 CA--C 1.527 0.094 0 CA-C-O 120.906 0.384 . . . . 0.0 110.693 -179.8 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.661 ' N ' HG23 ' A' ' 6' ' ' ILE . 5.3 t70 175.86 -141.09 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.608 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 6.0 p -120.51 118.4 30.15 Favored 'General case' 0 C--O 1.223 -0.309 0 O-C-N 121.523 -0.735 . . . . 0.0 111.141 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.989 HG21 HG13 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -145.42 179.4 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.474 -178.342 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.68 ' O ' HD21 ' A' ' 20' ' ' LEU . 5.0 t -83.02 157.71 22.8 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.399 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.608 ' HA ' HD21 ' A' ' 20' ' ' LEU . . . -121.8 144.56 48.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 66.59 6.33 4.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.88 0.371 . . . . 0.0 110.421 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.92 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.2 OUTLIER -55.64 -22.85 24.73 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.364 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.0 OUTLIER 11.61 -48.63 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 178.862 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.92 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -39.98 -19.79 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.757 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.556 ' HB ' ' CE2' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -48.2 -49.22 33.71 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.861 0.362 . . . . 0.0 110.92 179.549 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.461 ' N ' ' CG2' ' A' ' 44' ' ' THR . 1.3 mt -51.5 -53.97 31.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.732 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.534 ' H ' HD12 ' A' ' 46' ' ' ILE . 3.4 mp -70.25 -57.15 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.74 -68.1 0.2 Allowed 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.922 ' NE2' ' HB2' ' A' ' 27' ' ' ALA . 66.9 m80 -49.84 -49.63 48.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.374 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 49' ' ' LEU . 15.0 mt -50.32 -70.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.149 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 m120 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.163 -0.923 . . . . 0.0 111.024 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.735 0.302 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -125.8 131.99 52.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.795 ' HB ' HD22 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -143.66 175.62 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 179.603 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.556 ' H ' HG12 ' A' ' 4' ' ' VAL . 0.7 OUTLIER -85.83 124.75 32.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.501 0.667 . . . . 0.0 111.207 -179.639 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.947 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 6.0 tp -56.8 155.28 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.337 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.579 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER 96.01 -71.47 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 124.928 1.393 . . . . 0.0 108.634 -179.189 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -43.02 76.32 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 176.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.863 HD21 ' HB2' ' A' ' 39' ' ' ALA . 6.0 tp -71.05 -47.03 60.81 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 113.962 -1.472 . . . . 0.0 108.589 176.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.83 ' HB1' ' CG ' ' A' ' 18' ' ' GLU . . . -46.92 -49.61 20.22 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.644 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.52 81.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.992 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' OE2' HD12 ' A' ' 9' ' ' LEU . 4.0 tt0 -34.46 -72.52 0.05 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.643 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.862 ' HB2' HG12 ' A' ' 17' ' ' VAL . 1.9 mmm180 -70.8 -48.54 53.62 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.709 0.766 . . . . 0.0 109.511 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 81.3 -52.52 0.29 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.316 -1.311 . . . . 0.0 110.538 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.6 t -106.21 11.33 31.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.851 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -129.76 -91.0 0.46 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.619 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.863 ' HA ' HD23 ' A' ' 20' ' ' LEU . 3.9 p -49.88 -49.76 20.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.83 ' CG ' ' HB1' ' A' ' 10' ' ' ALA . 1.2 tt0 -48.83 -49.66 38.12 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 121.838 2.108 . . . . 0.0 110.183 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -60.41 -45.31 94.04 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 122.128 0.966 . . . . 0.0 110.232 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.863 HD23 ' HA ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -55.27 -49.18 72.74 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 113.588 -1.642 . . . . 0.0 112.171 -177.807 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.819 ' HB ' HG23 ' A' ' 37' ' ' VAL . 6.7 p -54.91 -47.91 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.43 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.413 ' N ' HG13 ' A' ' 21' ' ' VAL . 34.2 mt-30 -54.29 -69.73 0.12 Allowed 'General case' 0 C--O 1.244 0.776 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.251 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.486 ' O ' ' NE2' ' A' ' 48' ' ' HIS . 1.2 mp0 -49.81 -49.52 48.5 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.653 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.696 ' HE2' ' O ' ' A' ' 41' ' ' GLU . 9.6 m-85 -53.13 -45.38 68.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.751 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -45.95 -46.97 16.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 177.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -48.87 75.09 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.182 175.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.953 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -48.23 -74.57 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 121.631 0.729 . . . . 0.0 111.521 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.878 ' O ' HD13 ' A' ' 29' ' ' ILE . . . 168.13 46.84 0.03 OUTLIER Glycine 0 C--N 1.336 0.529 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.878 HD13 ' O ' ' A' ' 28' ' ' GLY . 2.1 mm -140.46 -176.7 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.174 -1.013 . . . . 0.0 109.974 -177.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.72 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -75.51 152.5 37.82 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.516 -177.626 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.751 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -84.33 162.24 20.13 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -176.399 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.715 ' HB3' HG13 ' A' ' 21' ' ' VAL . 8.1 p -91.66 175.44 6.9 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 114.046 -1.433 . . . . 0.0 113.971 -177.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 89.16 55.08 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 114.066 -1.424 . . . . 0.0 110.752 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.579 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 1.4 t70 58.53 97.73 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.065 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.51 ' N ' HG22 ' A' ' 6' ' ' ILE . 61.6 t0 173.24 -113.26 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.373 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.448 ' HB3' ' HG2' ' A' ' 30' ' ' ARG . 50.6 m -120.24 137.23 54.34 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.163 -0.961 . . . . 0.0 112.026 177.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.947 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 11.6 p -141.49 170.64 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.036 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.842 ' O ' HD21 ' A' ' 20' ' ' LEU . 2.3 t -118.08 123.76 46.41 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 176.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.863 ' HB2' HD21 ' A' ' 9' ' ' LEU . . . -79.68 144.26 33.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.93 0.395 . . . . 0.0 111.445 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.88 5.87 5.26 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.013 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.697 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.4 OUTLIER -75.79 -7.98 55.75 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.449 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' THR . 23.4 pttt -24.73 -30.53 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.697 ' N ' ' O ' ' A' ' 41' ' ' GLU . 94.8 mm-40 -44.28 -16.86 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 178.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.574 ' OG1' ' CE1' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -46.88 -48.4 21.13 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.601 0.239 . . . . 0.0 110.904 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' N ' ' CG2' ' A' ' 44' ' ' THR . 22.9 mt -49.17 -49.63 41.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.653 0.263 . . . . 0.0 111.241 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 mt -69.95 -56.4 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -54.66 -68.8 0.16 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.953 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 66.5 m80 -49.48 -49.85 43.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.606 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 6.9 tt -56.66 -70.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.75 0.31 . . . . 0.0 111.271 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m120 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.952 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.728 0.299 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -122.78 134.91 54.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.955 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.798 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -143.53 175.68 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.715 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.545 ' H ' HG12 ' A' ' 4' ' ' VAL . 0.6 OUTLIER -82.68 125.04 30.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.55 0.691 . . . . 0.0 111.05 -179.698 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.883 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -56.05 151.72 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.138 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.608 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER 103.12 -73.38 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 O-C-N 124.993 1.433 . . . . 0.0 108.917 -179.326 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -58.11 -44.09 87.52 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.06 HD21 ' HB2' ' A' ' 39' ' ' ALA . 12.7 tp -70.48 -46.08 64.46 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.08 -1.418 . . . . 0.0 108.353 176.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.85 ' HB1' ' CG ' ' A' ' 18' ' ' GLU . . . -45.95 -49.85 15.37 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.013 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' GLU . . . -67.24 -48.51 67.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.318 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 7.9 tm-20 -27.04 -67.61 0.06 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.492 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.627 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -70.12 -48.98 55.22 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.7 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 3.7 tp60 81.72 113.88 0.06 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.688 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.3 m 63.01 17.87 10.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.654 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -130.17 -99.76 0.32 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.736 -179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.821 ' HA ' HD12 ' A' ' 20' ' ' LEU . 4.4 p -49.21 -48.38 17.86 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-O 117.946 -1.026 . . . . 0.0 113.051 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.998 ' O ' HG12 ' A' ' 21' ' ' VAL . 52.5 tt0 -48.04 -49.85 29.86 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 121.036 1.744 . . . . 0.0 108.447 177.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -56.02 -45.84 78.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.726 177.292 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 17' ' ' VAL . 46.0 mt -53.53 -52.06 60.86 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.22 -1.354 . . . . 0.0 111.629 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.998 HG12 ' O ' ' A' ' 18' ' ' GLU . 9.6 p -49.23 -46.96 18.67 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.45 -70.4 0.19 Allowed 'General case' 0 C--O 1.242 0.681 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.681 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 5.3 mt-30 -49.3 -54.48 16.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.991 0.425 . . . . 0.0 110.472 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.699 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . 4.7 m-85 -49.79 -44.72 49.17 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.833 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -45.4 -47.15 13.63 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -48.79 75.51 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.995 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.931 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -49.5 -75.12 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.38 0.61 . . . . 0.0 111.576 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.909 ' O ' HD13 ' A' ' 29' ' ' ILE . . . 172.35 44.48 0.04 OUTLIER Glycine 0 C--N 1.335 0.482 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.909 HD13 ' O ' ' A' ' 28' ' ' GLY . 2.6 mm -139.14 -176.37 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 124.258 1.023 . . . . 0.0 109.962 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.769 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -75.83 154.64 36.03 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.718 0.294 . . . . 0.0 110.872 -177.359 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.833 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -85.61 164.86 17.47 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -176.794 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.846 ' HB3' HG13 ' A' ' 21' ' ' VAL . 4.3 p -90.27 175.13 7.24 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 114.246 -1.343 . . . . 0.0 114.482 -177.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 91.04 48.4 0.0 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.906 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.608 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 4.4 t70 59.85 109.09 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.183 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.638 ' N ' HG22 ' A' ' 6' ' ' ILE . 28.8 t70 163.09 -105.46 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.562 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 72.8 m -120.24 135.85 54.85 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.16 -0.962 . . . . 0.0 112.284 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.883 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 12.5 p -142.23 171.66 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.041 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.699 ' N ' HG22 ' A' ' 37' ' ' VAL . 42.9 t -123.66 123.31 40.26 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 176.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.06 ' HB2' HD21 ' A' ' 9' ' ' LEU . . . -82.52 150.14 27.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.978 0.418 . . . . 0.0 111.277 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 63.54 14.62 8.19 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.722 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.873 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -64.55 -18.65 65.04 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.196 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.775 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 9.12 -53.83 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 O-C-N 124.298 0.999 . . . . 0.0 113.655 178.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.873 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -37.88 -23.28 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.8 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.572 HG21 ' HA ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -48.46 -49.65 34.63 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.108 -179.58 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' N ' HG22 ' A' ' 44' ' ' THR . 56.7 mt -53.07 -56.3 17.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.694 0.283 . . . . 0.0 111.675 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 47' ' ' ASP . 2.9 tp -70.2 -49.73 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.47 ' N ' HG23 ' A' ' 46' ' ' ILE . 3.1 t0 -57.14 -70.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.931 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 70.4 m80 -50.23 -51.01 47.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.779 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.98 -70.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.426 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.887 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.864 0.364 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.37 124.92 38.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.56 HG12 ' H ' ' A' ' 5' ' ' THR . 1.5 t -143.18 175.08 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.56 ' H ' HG12 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -90.02 124.15 34.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.504 0.668 . . . . 0.0 110.606 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.788 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 10.4 tp -66.27 156.01 6.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.203 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.594 ' H ' ' HB2' ' A' ' 10' ' ' ALA . 0.3 OUTLIER 96.84 -79.34 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 113.966 -1.47 . . . . 0.0 109.414 -179.13 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.4 p -52.44 -44.58 65.58 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.643 ' CD1' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -70.86 -46.03 63.39 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 113.754 -1.566 . . . . 0.0 108.244 175.727 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.594 ' HB2' ' H ' ' A' ' 7' ' ' LYS . . . -46.07 -49.57 16.25 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.723 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.61 -48.73 71.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.106 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.585 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 16.0 mm-40 -31.92 -57.99 0.29 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.831 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.791 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -68.44 -48.88 63.42 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.131 179.278 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER 86.49 -32.01 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.176 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.6 p -138.86 17.32 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.808 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.584 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -129.6 -88.31 0.51 Allowed 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.598 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.861 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.0 p -53.8 -51.2 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.995 ' O ' HG12 ' A' ' 21' ' ' VAL . 1.3 tt0 -48.61 -54.46 14.52 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 121.524 1.965 . . . . 0.0 108.563 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.553 ' CG ' HD11 ' A' ' 45' ' ' LEU . 2.9 tpp180 -51.49 -46.12 63.06 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.049 -1.432 . . . . 0.0 109.192 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.861 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -54.19 -49.04 70.26 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 114.288 -1.324 . . . . 0.0 111.607 -179.498 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.995 HG12 ' O ' ' A' ' 18' ' ' GLU . 10.5 p -49.69 -47.33 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 119.162 0.892 . . . . 0.0 111.492 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 5.5 pt20 -63.04 -70.28 0.22 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.523 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 21.8 mm-40 -49.4 -48.85 46.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.573 0.702 . . . . 0.0 110.484 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.749 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 10.7 m-85 -52.68 -44.49 66.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.818 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . . . -45.53 -46.71 14.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -62.19 -48.92 77.9 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.593 -1.185 . . . . 0.0 108.853 174.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.617 ' CB ' ' HA ' ' A' ' 24' ' ' PHE . . . -41.02 -77.07 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.998 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.37 10.95 0.06 OUTLIER Glycine 0 CA--C 1.529 0.91 0 CA-C-N 115.747 -0.661 . . . . 0.0 113.099 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.596 ' CG1' ' HB3' ' A' ' 24' ' ' PHE . 5.0 pt -102.46 179.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 C-N-CA 123.015 0.526 . . . . 0.0 110.269 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.654 ' O ' HG13 ' A' ' 37' ' ' VAL . 1.5 mtt85 -69.44 123.8 22.22 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.188 -178.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.761 ' HA ' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -125.72 123.26 38.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.466 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.653 ' O ' HG21 ' A' ' 21' ' ' VAL . 1.1 m -148.74 177.31 9.63 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.453 0.644 . . . . 0.0 111.542 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.59 90.94 3.44 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.569 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 10.8 t70 69.29 67.29 0.26 Allowed 'General case' 0 C--O 1.231 0.124 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -176.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.588 ' HB3' ' CB ' ' A' ' 32' ' ' SER . 49.6 t0 -168.62 -113.56 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.683 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.95 121.18 29.23 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.788 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 54.8 t -145.24 175.59 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.986 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.643 ' O ' HD21 ' A' ' 20' ' ' LEU . 8.4 t -99.52 123.64 43.98 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.443 ' HB1' HD11 ' A' ' 9' ' ' LEU . . . -86.87 154.62 20.72 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 72.25 5.25 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.394 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.536 ' CB ' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -71.69 -17.7 62.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.281 179.277 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.39 -36.74 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' GLU . 60.1 mt-30 -45.67 -44.88 13.75 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.129 0.49 . . . . 0.0 110.657 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.732 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -67.2 -40.69 86.53 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.337 178.429 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.553 HD11 ' CG ' ' A' ' 19' ' ' ARG . 1.1 tt -44.62 -48.86 10.47 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.7 mt -49.81 -46.74 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 175.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' A' ' 44' ' ' THR . 3.5 t0 -49.07 -49.18 42.84 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.15 -1.386 . . . . 0.0 111.274 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.544 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 70.1 m80 -48.9 -49.47 39.7 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.152 0.501 . . . . 0.0 109.801 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 tp -51.46 -70.0 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.274 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.828 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.92 0.39 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -120.12 126.88 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.47 ' HB ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -143.7 176.13 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.474 ' C ' HG12 ' A' ' 37' ' ' VAL . 1.1 p -87.24 124.52 33.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.148 0.499 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.958 HD13 ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -51.72 150.82 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.287 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.958 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.3 OUTLIER 97.6 -64.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 125.144 1.528 . . . . 0.0 108.502 -179.244 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 m -58.44 -45.98 87.46 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.858 HD11 ' HB2' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -71.04 -46.53 61.89 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.321 175.738 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.747 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . . . -46.53 -49.6 18.37 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.868 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -48.49 80.33 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -31.48 -70.29 0.07 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.704 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.84 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -70.24 -49.2 52.41 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.581 179.409 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 7.8 tp60 85.84 -32.14 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.905 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 m -132.76 11.49 4.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.961 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.575 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -129.62 -88.29 0.51 Allowed 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.885 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.7 p -49.89 -49.41 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.536 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 2.1 tt0 -48.55 -60.25 2.85 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 121.053 1.751 . . . . 0.0 109.651 178.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -46.25 56.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.445 -1.252 . . . . 0.0 110.826 178.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.885 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -56.0 -48.9 75.05 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.59 -1.187 . . . . 0.0 111.01 -178.643 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.03 HG22 HG23 ' A' ' 37' ' ' VAL . 0.8 OUTLIER -49.56 -48.83 19.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 O-C-N 121.953 -0.467 . . . . 0.0 111.984 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.414 ' HG3' ' CB ' ' A' ' 32' ' ' SER . 19.2 mt-30 -60.91 -70.5 0.18 Allowed 'General case' 0 C--O 1.246 0.874 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.538 ' HB2' HD23 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -48.69 -47.45 40.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.917 0.865 . . . . 0.0 109.79 -179.463 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.878 ' CZ ' ' HB ' ' A' ' 44' ' ' THR . 2.3 m-85 -51.16 -44.04 61.39 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.135 -1.393 . . . . 0.0 111.76 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB1' ' HG3' ' A' ' 31' ' ' LYS . . . -45.17 -46.83 12.31 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 177.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.38 -49.2 72.54 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.079 175.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.624 ' CB ' ' HA ' ' A' ' 24' ' ' PHE . . . -44.97 -71.43 0.08 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.755 0.788 . . . . 0.0 111.681 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.9 ' O ' HD13 ' A' ' 29' ' ' ILE . . . 156.87 43.74 0.02 OUTLIER Glycine 0 C--N 1.33 0.21 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -178.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.9 HD13 ' O ' ' A' ' 28' ' ' GLY . 1.8 mm -136.71 -176.65 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 113.796 -1.202 . . . . 0.0 109.916 -176.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.662 ' H ' HG22 ' A' ' 29' ' ' ILE . 20.8 mmt180 -73.91 149.21 41.6 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.949 -0.301 . . . . 0.0 110.717 -177.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.636 ' C ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -81.91 159.16 23.71 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.43 1.081 . . . . 0.0 113.839 -177.323 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.61 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -92.53 176.18 6.55 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.289 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.639 ' H ' HD12 ' A' ' 6' ' ' ILE . . . 92.16 47.25 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.788 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.559 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 10.2 t0 60.05 103.98 0.02 OUTLIER 'General case' 0 C--O 1.23 0.064 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.038 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.536 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 60.8 t0 168.55 -109.71 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.639 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.409 ' CB ' ' HB3' ' A' ' 30' ' ' ARG . 2.2 p -117.44 137.09 52.74 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 120.928 -1.107 . . . . 0.0 112.241 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 1.03 HG23 HG22 ' A' ' 21' ' ' VAL . 7.9 p -139.2 165.2 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.166 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.762 ' O ' HD21 ' A' ' 20' ' ' LEU . 30.5 t -123.51 122.84 39.25 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.858 ' HB2' HD11 ' A' ' 9' ' ' LEU . . . -83.81 153.91 23.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.722 0.296 . . . . 0.0 110.741 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.22 15.84 9.36 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.596 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 1.1 mm-40 -96.99 -21.48 17.39 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.451 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.471 ' N ' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -36.67 -32.5 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.139 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -46.52 -51.16 16.02 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 111.126 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.878 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -56.89 -40.77 76.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.974 178.639 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.546 ' C ' HD13 ' A' ' 45' ' ' LEU . 3.4 tm? -44.89 -48.99 11.21 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -178.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 53.9 mt -49.82 -46.99 22.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 44' ' ' THR . 4.3 t0 -49.82 -51.97 35.78 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.597 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 71.9 m80 -49.69 -49.68 46.68 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 121.084 0.469 . . . . 0.0 109.868 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.07 -69.86 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.157 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.812 0.339 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -84.6 127.78 34.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.594 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -144.09 175.82 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.141 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.581 ' H ' HG12 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -72.85 124.56 25.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.954 0.883 . . . . 0.0 112.736 -178.528 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.875 HD12 ' HB2' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -56.46 154.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 113.763 -1.562 . . . . 0.0 110.735 178.018 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.739 ' H ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER 94.16 -79.06 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 113.918 -1.492 . . . . 0.0 110.846 178.664 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.04 -51.87 28.66 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.594 HD22 ' HB ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -71.27 -45.82 62.31 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.24 -1.346 . . . . 0.0 109.71 176.564 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.875 ' HB2' HD12 ' A' ' 6' ' ' ILE . . . -46.03 -59.92 2.57 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.15 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.62 80.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.687 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -26.75 -58.6 0.09 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.981 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.786 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -67.6 -49.05 64.97 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.454 0.645 . . . . 0.0 111.015 -179.635 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 15' ' ' THR . 23.2 tt0 82.27 91.89 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.593 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 2.0 m 85.58 -1.19 0.78 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.913 -178.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.602 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -108.4 -95.4 0.39 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.21 179.469 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.816 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -52.96 -49.19 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -178.503 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 1.141 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.5 tt0 -48.79 -50.16 35.42 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 120.375 1.443 . . . . 0.0 110.209 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -49.18 -45.7 44.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.256 1.027 . . . . 0.0 109.602 178.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.816 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -61.99 -47.12 86.21 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.416 -1.72 . . . . 0.0 111.746 -179.736 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.141 HG22 ' O ' ' A' ' 18' ' ' GLU . 19.2 m -47.39 -46.49 10.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 122.143 -0.348 . . . . 0.0 111.655 -177.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -68.19 -64.76 0.8 Allowed 'General case' 0 C--O 1.241 0.612 0 C-N-CA 120.195 -0.602 . . . . 0.0 112.39 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.487 ' C ' ' NE2' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -49.44 -55.83 11.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.054 0.454 . . . . 0.0 111.246 -179.24 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.715 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . 5.2 m-85 -50.52 -45.37 56.59 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.751 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -45.39 -47.18 13.54 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -64.36 -49.04 73.23 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.517 175.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.764 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -40.52 -72.99 0.05 Allowed 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.84 0.829 . . . . 0.0 112.246 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.835 ' C ' HD12 ' A' ' 29' ' ' ILE . . . 162.51 36.65 0.02 OUTLIER Glycine 0 CA--C 1.521 0.431 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.835 HD12 ' C ' ' A' ' 28' ' ' GLY . 1.8 mp -124.63 -178.91 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 125.427 1.491 . . . . 0.0 107.993 -177.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.601 ' HB2' ' HA ' ' A' ' 37' ' ' VAL . 12.5 mtt180 -77.94 159.01 29.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.815 0.734 . . . . 0.0 109.17 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.751 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -84.3 163.49 19.59 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -174.819 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.652 ' HB3' HG23 ' A' ' 21' ' ' VAL . 92.1 p -91.86 176.17 6.62 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 112.919 -1.946 . . . . 0.0 113.363 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 94.81 54.96 0.0 OUTLIER 'General case' 0 C--N 1.339 0.141 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.991 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.492 ' H ' HG13 ' A' ' 6' ' ' ILE . 13.9 t70 51.49 96.83 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.67 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.534 ' H ' HG23 ' A' ' 6' ' ' ILE . 27.9 t0 175.43 -120.51 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.368 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 36.4 m -122.26 124.2 43.22 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.284 -0.885 . . . . 0.0 111.545 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.961 HG11 HG12 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -146.33 178.58 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.817 -178.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.577 ' H ' HG22 ' A' ' 37' ' ' VAL . 12.0 t -107.15 123.67 48.59 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.517 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . . . -89.9 160.82 16.24 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.731 0.3 . . . . 0.0 110.248 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.33 19.44 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.007 0.432 . . . . 0.0 110.165 -178.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.87 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -61.04 -21.06 63.27 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.009 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.636 ' N ' HD13 ' A' ' 20' ' ' LEU . 5.0 mttt 29.74 -60.43 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.276 0.985 . . . . 0.0 113.644 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.87 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -39.22 -19.02 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -179.508 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.639 HG21 ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -47.89 -49.22 30.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.714 0.292 . . . . 0.0 111.275 -179.672 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.482 ' N ' ' CG2' ' A' ' 44' ' ' THR . 74.7 mt -62.53 -55.61 25.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.878 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.514 HG23 ' N ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -64.7 -49.67 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.514 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -59.33 -69.71 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.833 -179.12 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.764 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 69.9 m80 -49.87 -50.02 47.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.74 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.489 HD23 ' OD1' ' A' ' 50' ' ' ASN . 0.8 OUTLIER -53.95 -68.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 111.154 -179.705 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.489 ' OD1' HD23 ' A' ' 49' ' ' LEU . 24.3 m-20 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.842 0.354 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 1.2 m-20 -93.22 124.52 37.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.543 HG22 ' H ' ' A' ' 5' ' ' THR . 9.7 p -141.74 170.6 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.05 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.59 ' HB ' ' O ' ' A' ' 35' ' ' ASP . 18.4 p -73.29 124.52 25.86 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.146 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.678 ' CG2' ' HB ' ' A' ' 37' ' ' VAL . 1.9 pp -91.36 -178.14 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.716 ' H ' ' HB2' ' A' ' 10' ' ' ALA . 0.3 OUTLIER 99.84 -77.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 113.225 -1.807 . . . . 0.0 107.947 -178.067 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.3 p -62.77 -39.95 95.77 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -70.63 -44.14 67.82 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 113.023 -1.899 . . . . 0.0 108.391 175.556 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.786 ' HB1' ' HA ' ' A' ' 18' ' ' GLU . . . -44.95 -50.12 10.73 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.708 -178.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.78 -48.42 69.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.251 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.477 ' HB3' HD13 ' A' ' 9' ' ' LEU . 17.5 tt0 -28.11 -58.85 0.12 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.938 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.967 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -64.36 -48.26 76.18 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.806 -179.713 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.424 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 3.3 tt0 82.44 107.34 0.06 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.987 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 m 66.84 13.95 9.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.349 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.508 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -125.37 -95.88 0.45 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.744 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.967 HG12 ' HB2' ' A' ' 13' ' ' ARG . 3.4 p -53.02 -49.06 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.786 ' HA ' ' HB1' ' A' ' 10' ' ' ALA . 17.4 tt0 -49.22 -60.28 2.94 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 120.809 1.641 . . . . 0.0 109.344 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.85 ' HB3' HD11 ' A' ' 45' ' ' LEU . 4.6 mmt-85 -50.97 -46.43 61.27 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.265 -1.334 . . . . 0.0 109.741 177.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.9 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -50.03 -47.77 53.05 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.138 179.652 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.955 HG13 HG21 ' A' ' 37' ' ' VAL . 21.6 t -49.3 -49.33 17.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 O-C-N 121.905 -0.497 . . . . 0.0 111.841 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -70.7 0.19 Allowed 'General case' 0 C--O 1.243 0.726 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -178.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.574 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -48.91 -48.28 42.69 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.317 0.58 . . . . 0.0 110.539 -179.298 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.833 ' CZ ' ' HB ' ' A' ' 44' ' ' THR . 8.5 m-85 -51.84 -44.35 63.55 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.805 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.497 ' HB2' ' CB ' ' A' ' 31' ' ' LYS . . . -45.37 -46.91 13.41 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.77 -48.88 70.32 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.047 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.656 ' CB ' ' HA ' ' A' ' 24' ' ' PHE . . . -41.04 -72.8 0.06 Allowed 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 121.422 0.63 . . . . 0.0 112.185 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.471 ' N ' HD12 ' A' ' 29' ' ' ILE . . . 146.12 35.39 0.06 OUTLIER Glycine 0 CA--C 1.523 0.557 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.303 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.746 HG22 ' H ' ' A' ' 30' ' ' ARG . 2.8 mp -125.61 178.24 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 123.569 0.747 . . . . 0.0 109.321 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.746 ' H ' HG22 ' A' ' 29' ' ' ILE . 5.9 mpt_? -69.34 124.6 24.29 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.045 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.684 ' HA ' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -124.76 124.22 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.092 -179.157 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.722 ' O ' HG11 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -148.12 177.62 9.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.665 0.745 . . . . 0.0 111.818 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 34' ' ' ASP . . . -129.65 85.53 2.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 177.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.635 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER 78.77 66.57 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -175.241 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.59 ' O ' ' HB ' ' A' ' 5' ' ' THR . 7.2 t0 -174.02 -123.34 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.216 -178.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 1.3 p -123.4 123.03 39.76 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.955 HG21 HG13 ' A' ' 21' ' ' VAL . 19.0 t -145.44 175.74 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 113.413 -1.721 . . . . 0.0 108.283 178.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.717 ' O ' HD21 ' A' ' 20' ' ' LEU . 88.6 p -96.15 124.15 40.04 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 121.632 -0.667 . . . . 0.0 109.88 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.406 ' HB2' HG12 ' A' ' 4' ' ' VAL . . . -87.83 154.92 20.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.409 ' CG ' ' NH2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 71.57 2.6 4.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.233 -178.696 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.6 ' CB ' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -70.28 -13.79 62.32 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.143 179.114 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.408 ' HG3' ' HA ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -33.41 -35.64 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.155 0.284 . . . . 0.0 111.72 178.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 41' ' ' GLU . 4.5 mm100 -44.88 -45.77 10.47 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.918 0.389 . . . . 0.0 110.655 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.833 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -70.18 -40.67 74.52 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.492 178.035 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.85 HD11 ' HB3' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -44.57 -49.36 10.17 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.273 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 1.3 tt -50.87 -46.15 29.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 175.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.585 ' CB ' ' O ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -49.05 -49.19 42.54 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.22 179.218 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.613 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 73.1 m80 -49.26 -49.48 43.19 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.131 0.491 . . . . 0.0 109.854 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 tp -52.25 -66.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.182 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.898 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.799 0.333 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -123.52 136.44 54.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.611 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -143.72 175.89 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.531 ' H ' HG12 ' A' ' 4' ' ' VAL . 1.3 p -84.69 124.8 31.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.183 0.516 . . . . 0.0 110.858 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.986 HD13 ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -52.55 146.31 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.839 179.465 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.986 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.6 OUTLIER 109.55 -74.42 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 125.003 1.439 . . . . 0.0 109.03 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.1 p -57.05 -45.34 83.28 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.012 HD21 ' HB2' ' A' ' 39' ' ' ALA . 9.8 tp -70.45 -46.35 64.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.351 176.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.839 ' HB1' ' CG ' ' A' ' 18' ' ' GLU . . . -46.52 -50.0 17.77 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.277 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.65 -48.78 71.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.621 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -30.62 -66.68 0.1 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.102 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 1.023 ' HB2' HG12 ' A' ' 17' ' ' VAL . 3.1 mpt_? -70.14 -49.43 50.71 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.59 0.709 . . . . 0.0 110.577 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 77.21 102.96 0.07 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.661 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 m 78.38 2.92 2.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.438 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.751 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -116.97 -95.53 0.48 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 119.211 -0.423 . . . . 0.0 111.047 179.667 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.023 HG12 ' HB2' ' A' ' 13' ' ' ARG . 4.0 p -49.38 -49.14 18.39 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 CA-C-O 118.235 -0.888 . . . . 0.0 113.157 -178.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.839 ' CG ' ' HB1' ' A' ' 10' ' ' ALA . 63.5 tt0 -48.39 -53.96 15.75 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 120.541 1.519 . . . . 0.0 108.793 177.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -50.33 -46.14 55.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.986 -1.461 . . . . 0.0 109.972 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.789 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 8.1 mt -56.23 -48.59 76.19 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.998 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.943 HG22 ' CG2' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -48.28 -48.09 13.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.197 -178.622 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -70.43 0.22 Allowed 'General case' 0 C--O 1.245 0.82 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.643 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 9.6 mm-40 -48.96 -48.87 42.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.488 0.661 . . . . 0.0 110.007 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.787 ' CZ ' ' HB ' ' A' ' 44' ' ' THR . 7.9 m-85 -51.34 -43.98 61.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.288 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.582 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -44.99 -46.52 11.19 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 105.188 -2.152 . . . . 0.0 105.188 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.67 -49.36 75.44 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.103 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.694 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -46.13 -71.97 0.06 Allowed 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.786 0.803 . . . . 0.0 111.624 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.719 ' H ' HD12 ' A' ' 29' ' ' ILE . . . 160.23 43.58 0.02 OUTLIER Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.824 HG22 ' H ' ' A' ' 30' ' ' ARG . 1.7 mp -140.61 -178.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 124.28 1.032 . . . . 0.0 109.341 -177.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.824 ' H ' HG22 ' A' ' 29' ' ' ILE . 1.0 OUTLIER -75.07 151.38 38.67 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 121.982 -0.449 . . . . 0.0 110.931 -177.322 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.683 ' C ' HG12 ' A' ' 21' ' ' VAL . 3.4 ttpt -86.6 163.29 17.52 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.603 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.626 ' CB ' ' HB ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -91.58 175.49 6.89 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.989 -178.245 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 97.69 46.31 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.948 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.719 ' H ' HD12 ' A' ' 6' ' ' ILE . 2.0 t0 60.64 108.89 0.02 OUTLIER 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.487 ' N ' HG22 ' A' ' 6' ' ' ILE . 4.0 m-20 160.39 -106.75 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.821 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.448 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 49.8 m -119.74 135.78 54.7 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 120.997 -1.064 . . . . 0.0 112.827 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.943 ' CG2' HG22 ' A' ' 21' ' ' VAL . 12.6 p -140.21 166.71 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.344 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.747 ' HB2' HG21 ' A' ' 29' ' ' ILE . 6.6 m -124.43 123.33 39.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.304 176.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.012 ' HB2' HD21 ' A' ' 9' ' ' LEU . . . -87.18 154.69 20.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.62 0.247 . . . . 0.0 110.551 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 75.28 9.47 3.78 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -77.94 -21.26 51.33 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.874 179.261 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.618 ' N ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -29.37 -36.11 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -55.39 -55.01 36.52 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.774 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.787 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -62.12 -41.67 98.47 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.63 ' HB2' HD22 ' A' ' 20' ' ' LEU . 1.5 tm? -45.09 -49.07 11.91 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.717 -0.614 . . . . 0.0 109.405 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.2 mm -49.96 -46.92 23.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 175.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 44' ' ' THR . 1.5 t70 -49.61 -51.03 40.33 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.574 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.694 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 73.1 m80 -49.68 -49.55 47.06 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.147 0.499 . . . . 0.0 109.951 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.48 -69.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.066 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.859 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.896 0.379 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.93 132.12 46.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.86 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.698 ' O ' ' O ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER -143.38 175.44 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.36 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.548 ' H ' HG12 ' A' ' 4' ' ' VAL . 58.4 p -85.41 124.14 31.66 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.825 0.821 . . . . 0.0 111.491 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 1.041 HD13 HG21 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -57.25 147.82 5.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 114.119 -1.4 . . . . 0.0 109.902 178.38 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.731 ' H ' HD12 ' A' ' 6' ' ' ILE . 1.7 tmtm? 97.64 -71.08 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.817 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -42.46 69.41 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.743 HD12 HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -70.7 -45.91 64.09 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 113.629 -1.623 . . . . 0.0 108.025 175.652 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.639 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . . . -46.46 -49.35 18.38 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.408 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.84 -48.86 72.84 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.729 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.538 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 17.0 mm-40 -36.41 -70.25 0.09 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.068 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.83 ' HB2' HG12 ' A' ' 17' ' ' VAL . 10.0 mmt180 -70.41 -48.9 53.94 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.609 0.719 . . . . 0.0 109.879 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 82.47 -45.04 0.15 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.762 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 t -116.66 6.97 13.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.157 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.513 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -122.41 -87.8 0.63 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.468 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.843 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.7 p -54.69 -48.34 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -178.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.46 ' HB2' ' CA ' ' A' ' 10' ' ' ALA . 28.6 tt0 -47.11 -54.52 10.28 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 121.364 1.893 . . . . 0.0 109.569 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -47.2 71.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.371 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.898 HD12 ' N ' ' A' ' 21' ' ' VAL . 0.2 OUTLIER -54.22 -48.48 71.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.872 -179.447 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.041 HG21 HD13 ' A' ' 6' ' ' ILE . 2.0 t -48.93 -48.79 16.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -67.81 0.4 Allowed 'General case' 0 C--O 1.245 0.824 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.668 ' CG ' HD13 ' A' ' 45' ' ' LEU . 61.6 mm-40 -48.51 -47.97 38.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.516 0.674 . . . . 0.0 109.35 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.728 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 8.2 m-85 -49.51 -44.43 46.21 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.766 179.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -44.99 -46.41 11.14 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 178.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -49.45 76.43 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.213 175.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 1.119 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -48.84 -76.81 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.555 0.693 . . . . 0.0 112.332 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.42 ' H ' ' H ' ' A' ' 29' ' ' ILE . . . 170.46 7.13 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.367 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.588 ' HB ' ' HB3' ' A' ' 24' ' ' PHE . 1.4 mp -97.53 -179.04 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 124.914 1.285 . . . . 0.0 107.939 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.58 ' H ' HG23 ' A' ' 29' ' ' ILE . 2.3 tpp85 -77.53 159.93 28.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 119.328 0.967 . . . . 0.0 111.278 -176.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.804 ' C ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -87.67 165.81 15.13 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -177.335 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.662 ' HA ' HG12 ' A' ' 6' ' ' ILE . 1.6 t -85.99 162.45 18.5 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 114.627 -1.17 . . . . 0.0 112.741 -178.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 98.57 46.61 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.46 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.505 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 1.2 t70 66.82 114.09 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.027 0.441 . . . . 0.0 111.202 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.611 ' N ' HG23 ' A' ' 6' ' ' ILE . 7.5 t0 178.31 -144.8 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.332 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 8.1 t -128.24 91.38 3.24 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.391 -0.818 . . . . 0.0 111.253 177.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.992 HG21 HG13 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -108.69 176.86 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -178.218 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.55 ' H ' HG22 ' A' ' 37' ' ' VAL . 4.5 m -103.78 124.08 48.24 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.776 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.479 ' HB2' ' HG ' ' A' ' 9' ' ' LEU . . . -84.69 156.06 21.65 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.699 0.285 . . . . 0.0 110.542 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 74.82 0.08 3.46 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.619 ' HB2' HD22 ' A' ' 20' ' ' LEU . 10.0 mm-40 -73.75 -18.07 61.02 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.435 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.427 ' HA ' HD23 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -32.46 -35.55 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 179.334 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -49.84 -52.92 28.84 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 179.723 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.626 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -70.14 -41.35 74.01 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.056 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.699 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 0.1 OUTLIER -45.83 -48.89 15.74 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -179.683 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.469 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 66.3 mt -54.98 -45.73 76.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 175.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 44' ' ' THR . 3.8 t70 -48.44 -70.19 0.1 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.621 -1.172 . . . . 0.0 113.014 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 1.119 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 13.7 p-80 -65.85 -48.35 71.87 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.805 HD23 ' N ' ' A' ' 50' ' ' ASN . 4.8 tt -49.25 -70.15 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.702 0.287 . . . . 0.0 111.37 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.805 ' N ' HD23 ' A' ' 49' ' ' LEU . 1.8 t30 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.733 0.302 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.07 127.91 36.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.021 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.547 ' HB ' HD12 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -143.57 175.82 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.468 ' H ' HG12 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -88.22 124.51 33.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.379 0.609 . . . . 0.0 110.936 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.944 HD13 ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -53.36 151.73 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.713 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.944 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER 97.3 -64.25 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.636 1.21 . . . . 0.0 108.465 -178.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 m -61.21 -46.42 90.53 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.995 HD11 ' HB2' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -70.75 -46.87 62.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.134 -1.394 . . . . 0.0 108.267 176.131 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.804 ' HB1' ' CG ' ' A' ' 18' ' ' GLU . . . -46.74 -49.66 19.27 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.538 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' GLU . . . -59.09 -48.69 80.68 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.151 177.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -33.71 -71.55 0.06 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.825 179.435 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.878 ' HB2' HG12 ' A' ' 17' ' ' VAL . 13.2 mmp_? -70.44 -48.59 55.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.656 0.741 . . . . 0.0 109.666 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.421 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 84.23 -48.59 0.11 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.794 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 p -114.46 15.77 17.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.835 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.439 ' HB2' ' CG ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -131.91 -89.22 0.44 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.908 ' HA ' HD23 ' A' ' 20' ' ' LEU . 2.8 p -51.18 -49.82 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -177.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.804 ' CG ' ' HB1' ' A' ' 10' ' ' ALA . 33.7 tt0 -48.17 -54.72 12.41 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 121.364 1.893 . . . . 0.0 109.836 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -45.42 78.7 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.182 177.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.908 HD23 ' HA ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -53.31 -48.46 68.4 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 113.978 -1.464 . . . . 0.0 111.84 -178.361 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.906 HG22 HG23 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -54.86 -48.94 73.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.462 -179.198 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.444 ' CG ' ' HB2' ' A' ' 32' ' ' SER . 33.7 mt-30 -56.4 -68.85 0.18 Allowed 'General case' 0 C--O 1.242 0.709 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.539 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 33.0 mm-40 -48.81 -49.43 39.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.09 0.471 . . . . 0.0 110.205 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.744 ' HE2' ' O ' ' A' ' 41' ' ' GLU . 6.7 m-85 -52.81 -44.34 66.59 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -45.18 -46.97 12.43 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -62.29 -48.84 78.12 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.878 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.994 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -54.16 -77.4 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.566 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.88 ' O ' HD13 ' A' ' 29' ' ' ILE . . . 171.44 45.41 0.04 OUTLIER Glycine 0 C--N 1.338 0.692 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.324 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.88 HD13 ' O ' ' A' ' 28' ' ' GLY . 1.9 mm -142.19 -178.14 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 123.75 0.82 . . . . 0.0 109.676 -178.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.709 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -74.37 147.46 42.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -178.132 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG2' ' HB1' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -87.54 167.25 14.11 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -176.742 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.603 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -92.66 175.96 6.63 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 114.433 -1.258 . . . . 0.0 112.277 -178.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.666 ' H ' HD12 ' A' ' 6' ' ' ILE . . . 96.4 43.13 0.0 OUTLIER 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.765 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.634 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 6.1 t70 61.35 105.04 0.02 OUTLIER 'General case' 0 C--O 1.231 0.096 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.356 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.589 ' N ' HG22 ' A' ' 6' ' ' ILE . 34.8 t70 166.71 -109.08 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.558 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.447 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 2.0 p -118.56 136.92 53.58 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.061 -1.024 . . . . 0.0 112.036 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.906 HG23 HG22 ' A' ' 21' ' ' VAL . 11.2 p -139.41 166.76 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.513 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.884 ' O ' HD21 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -123.6 123.26 40.19 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.608 176.512 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.995 ' HB2' HD11 ' A' ' 9' ' ' LEU . . . -80.56 146.65 31.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.902 0.382 . . . . 0.0 111.208 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.58 2.89 4.46 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.784 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.822 ' HB3' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -77.99 -5.59 51.77 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.331 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.529 ' N ' HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -32.73 -25.62 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 179.148 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.587 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -47.75 -13.67 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.538 0.208 . . . . 0.0 111.348 178.712 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.576 ' OG1' ' CE1' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -47.1 -48.66 22.82 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.618 0.246 . . . . 0.0 111.036 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.754 ' O ' HD13 ' A' ' 49' ' ' LEU . 47.9 mt -49.35 -49.94 42.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.401 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 31.2 mt -70.33 -61.37 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.83 -64.33 0.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.994 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 50.6 m80 -49.71 -49.48 47.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.754 HD13 ' O ' ' A' ' 45' ' ' LEU . 6.2 mp -53.34 -69.89 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.874 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.855 0.36 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.8 135.08 42.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.68 ' CG1' HD23 ' A' ' 9' ' ' LEU . 2.9 t -140.44 167.91 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.0 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.515 ' H ' HG12 ' A' ' 4' ' ' VAL . 40.0 p -73.13 124.24 25.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.558 0.694 . . . . 0.0 111.448 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.957 HD13 HG21 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -51.22 149.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.656 178.465 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.695 ' H ' HD12 ' A' ' 6' ' ' ILE . 0.4 OUTLIER 97.89 -77.27 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.958 -1.474 . . . . 0.0 109.957 179.376 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.94 -44.26 29.97 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 106.511 -1.662 . . . . 0.0 106.511 177.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.759 ' HB3' HG21 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -71.42 -46.93 58.91 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 113.602 -1.636 . . . . 0.0 108.757 175.82 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.789 ' HB2' HD12 ' A' ' 6' ' ' ILE . . . -46.82 -54.83 9.01 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.061 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' GLU . . . -59.09 -48.46 81.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' ALA . 9.9 tp10 -30.24 -71.54 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.918 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.667 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -70.51 -49.34 49.35 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.781 179.506 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.422 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 84.79 -28.32 0.09 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.751 -179.473 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.3 p -132.86 8.73 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.011 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.526 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -127.94 -89.27 0.53 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.102 179.746 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.921 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -49.56 -51.15 15.8 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.3 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' N ' ' HA ' ' A' ' 10' ' ' ALA . 4.4 tt0 -48.35 -50.08 31.83 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 121.176 1.807 . . . . 0.0 109.23 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -58.87 -46.51 87.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.966 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.921 HD23 ' HA ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -49.32 -48.54 46.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.985 -1.461 . . . . 0.0 110.442 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.989 HG13 HG21 ' A' ' 37' ' ' VAL . 2.5 t -54.13 -50.95 51.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.803 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -61.15 -70.22 0.2 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.58 ' O ' ' NE2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -49.72 -49.57 47.34 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.489 -179.024 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.696 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 9.4 m-85 -56.56 -45.28 81.36 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -178.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.818 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -45.61 -47.17 14.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.29 -48.98 71.27 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.474 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.922 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . . . -44.39 -72.75 0.05 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.739 0.781 . . . . 0.0 112.086 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 170.76 40.96 0.03 OUTLIER Glycine 0 C--N 1.333 0.404 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.782 HG22 ' H ' ' A' ' 30' ' ' ARG . 1.1 mt -136.28 -175.61 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 113.615 -1.293 . . . . 0.0 108.776 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.782 ' H ' HG22 ' A' ' 29' ' ' ILE . 1.4 mtt-85 -82.03 171.1 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.014 -0.674 . . . . 0.0 111.57 -176.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.818 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 7.4 mptt -87.97 166.6 14.38 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -176.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.713 ' HA ' HG12 ' A' ' 6' ' ' ILE . 27.5 p -100.64 176.04 5.45 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 114.079 -1.419 . . . . 0.0 113.083 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 91.74 55.17 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.615 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 0.4 OUTLIER 58.26 102.87 0.02 OUTLIER 'General case' 0 CA--C 1.527 0.094 0 CA-C-O 120.906 0.384 . . . . 0.0 110.693 -179.8 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.661 ' N ' HG23 ' A' ' 6' ' ' ILE . 5.3 t70 175.86 -141.09 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.608 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 6.0 p -120.51 118.4 30.15 Favored 'General case' 0 C--O 1.223 -0.309 0 O-C-N 121.523 -0.735 . . . . 0.0 111.141 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.989 HG21 HG13 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -145.42 179.4 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.474 -178.342 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.68 ' O ' HD21 ' A' ' 20' ' ' LEU . 5.0 t -83.02 157.71 22.8 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.399 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.608 ' HA ' HD21 ' A' ' 20' ' ' LEU . . . -121.8 144.56 48.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 66.59 6.33 4.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.88 0.371 . . . . 0.0 110.421 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.92 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.2 OUTLIER -55.64 -22.85 24.73 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.364 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.0 OUTLIER 11.61 -48.63 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 178.862 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.92 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -39.98 -19.79 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.757 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.556 ' HB ' ' CE2' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -48.2 -49.22 33.71 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.861 0.362 . . . . 0.0 110.92 179.549 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' N ' ' CG2' ' A' ' 44' ' ' THR . 1.3 mt -51.5 -53.97 31.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.732 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.534 ' H ' HD12 ' A' ' 46' ' ' ILE . 3.4 mp -70.25 -57.15 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.74 -68.1 0.2 Allowed 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.922 ' NE2' ' HB2' ' A' ' 27' ' ' ALA . 66.9 m80 -49.84 -49.63 48.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.374 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 49' ' ' LEU . 15.0 mt -50.32 -70.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.149 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 m120 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.163 -0.923 . . . . 0.0 111.024 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.735 0.302 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -125.8 131.99 52.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.795 ' HB ' HD22 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -143.66 175.62 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 179.603 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.556 ' H ' HG12 ' A' ' 4' ' ' VAL . 0.7 OUTLIER -85.83 124.75 32.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.501 0.667 . . . . 0.0 111.207 -179.639 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.947 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 6.0 tp -56.8 155.28 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.337 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.579 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER 96.01 -71.47 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 124.928 1.393 . . . . 0.0 108.634 -179.189 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -43.02 76.32 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 176.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.863 HD21 ' HB2' ' A' ' 39' ' ' ALA . 6.0 tp -71.05 -47.03 60.81 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 113.962 -1.472 . . . . 0.0 108.589 176.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.83 ' HB1' ' CG ' ' A' ' 18' ' ' GLU . . . -46.92 -49.61 20.22 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.644 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.52 81.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.992 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' OE2' HD12 ' A' ' 9' ' ' LEU . 4.0 tt0 -34.46 -72.52 0.05 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.643 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.862 ' HB2' HG12 ' A' ' 17' ' ' VAL . 1.9 mmm180 -70.8 -48.54 53.62 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.709 0.766 . . . . 0.0 109.511 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 81.3 -52.52 0.29 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.316 -1.311 . . . . 0.0 110.538 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.6 t -106.21 11.33 31.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.851 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -129.76 -91.0 0.46 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.619 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.863 ' HA ' HD23 ' A' ' 20' ' ' LEU . 3.9 p -49.88 -49.76 20.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.83 ' CG ' ' HB1' ' A' ' 10' ' ' ALA . 1.2 tt0 -48.83 -49.66 38.12 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 121.838 2.108 . . . . 0.0 110.183 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -60.41 -45.31 94.04 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 122.128 0.966 . . . . 0.0 110.232 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.863 HD23 ' HA ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -55.27 -49.18 72.74 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 113.588 -1.642 . . . . 0.0 112.171 -177.807 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.819 ' HB ' HG23 ' A' ' 37' ' ' VAL . 6.7 p -54.91 -47.91 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.43 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.413 ' N ' HG13 ' A' ' 21' ' ' VAL . 34.2 mt-30 -54.29 -69.73 0.12 Allowed 'General case' 0 C--O 1.244 0.776 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.251 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.486 ' O ' ' NE2' ' A' ' 48' ' ' HIS . 1.2 mp0 -49.81 -49.52 48.5 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.653 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.696 ' HE2' ' O ' ' A' ' 41' ' ' GLU . 9.6 m-85 -53.13 -45.38 68.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.751 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -45.95 -46.97 16.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 177.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -48.87 75.09 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.182 175.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.953 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -48.23 -74.57 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 121.631 0.729 . . . . 0.0 111.521 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.878 ' O ' HD13 ' A' ' 29' ' ' ILE . . . 168.13 46.84 0.03 OUTLIER Glycine 0 C--N 1.336 0.529 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.878 HD13 ' O ' ' A' ' 28' ' ' GLY . 2.1 mm -140.46 -176.7 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.174 -1.013 . . . . 0.0 109.974 -177.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.72 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -75.51 152.5 37.82 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.516 -177.626 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.751 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -84.33 162.24 20.13 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -176.399 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.715 ' HB3' HG13 ' A' ' 21' ' ' VAL . 8.1 p -91.66 175.44 6.9 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 114.046 -1.433 . . . . 0.0 113.971 -177.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 89.16 55.08 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 114.066 -1.424 . . . . 0.0 110.752 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.579 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 1.4 t70 58.53 97.73 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.065 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.51 ' N ' HG22 ' A' ' 6' ' ' ILE . 61.6 t0 173.24 -113.26 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.373 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.448 ' HB3' ' HG2' ' A' ' 30' ' ' ARG . 50.6 m -120.24 137.23 54.34 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.163 -0.961 . . . . 0.0 112.026 177.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.947 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 11.6 p -141.49 170.64 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.036 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.842 ' O ' HD21 ' A' ' 20' ' ' LEU . 2.3 t -118.08 123.76 46.41 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 176.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.863 ' HB2' HD21 ' A' ' 9' ' ' LEU . . . -79.68 144.26 33.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.93 0.395 . . . . 0.0 111.445 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.88 5.87 5.26 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.013 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.697 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.4 OUTLIER -75.79 -7.98 55.75 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.449 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' THR . 23.4 pttt -24.73 -30.53 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.697 ' N ' ' O ' ' A' ' 41' ' ' GLU . 94.8 mm-40 -44.28 -16.86 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 178.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.574 ' OG1' ' CE1' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -46.88 -48.4 21.13 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.601 0.239 . . . . 0.0 110.904 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' N ' ' CG2' ' A' ' 44' ' ' THR . 22.9 mt -49.17 -49.63 41.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.653 0.263 . . . . 0.0 111.241 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 mt -69.95 -56.4 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -54.66 -68.8 0.16 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.953 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 66.5 m80 -49.48 -49.85 43.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.606 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 6.9 tt -56.66 -70.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.75 0.31 . . . . 0.0 111.271 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m120 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.952 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.728 0.299 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -122.78 134.91 54.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.955 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.798 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -143.53 175.68 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.715 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.545 ' H ' HG12 ' A' ' 4' ' ' VAL . 0.6 OUTLIER -82.68 125.04 30.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.55 0.691 . . . . 0.0 111.05 -179.698 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.883 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -56.05 151.72 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.138 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.608 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER 103.12 -73.38 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 O-C-N 124.993 1.433 . . . . 0.0 108.917 -179.326 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -58.11 -44.09 87.52 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.06 HD21 ' HB2' ' A' ' 39' ' ' ALA . 12.7 tp -70.48 -46.08 64.46 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.08 -1.418 . . . . 0.0 108.353 176.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.85 ' HB1' ' CG ' ' A' ' 18' ' ' GLU . . . -45.95 -49.85 15.37 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.013 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' GLU . . . -67.24 -48.51 67.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.318 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 7.9 tm-20 -27.04 -67.61 0.06 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.492 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.627 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -70.12 -48.98 55.22 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.7 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 3.7 tp60 81.72 113.88 0.06 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.688 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.3 m 63.01 17.87 10.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.654 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -130.17 -99.76 0.32 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.736 -179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.821 ' HA ' HD12 ' A' ' 20' ' ' LEU . 4.4 p -49.21 -48.38 17.86 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-O 117.946 -1.026 . . . . 0.0 113.051 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.998 ' O ' HG12 ' A' ' 21' ' ' VAL . 52.5 tt0 -48.04 -49.85 29.86 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 121.036 1.744 . . . . 0.0 108.447 177.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -56.02 -45.84 78.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.726 177.292 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 17' ' ' VAL . 46.0 mt -53.53 -52.06 60.86 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.22 -1.354 . . . . 0.0 111.629 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.998 HG12 ' O ' ' A' ' 18' ' ' GLU . 9.6 p -49.23 -46.96 18.67 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.45 -70.4 0.19 Allowed 'General case' 0 C--O 1.242 0.681 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.681 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 5.3 mt-30 -49.3 -54.48 16.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.991 0.425 . . . . 0.0 110.472 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.699 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . 4.7 m-85 -49.79 -44.72 49.17 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.833 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -45.4 -47.15 13.63 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -48.79 75.51 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.995 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.931 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -49.5 -75.12 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.38 0.61 . . . . 0.0 111.576 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.909 ' O ' HD13 ' A' ' 29' ' ' ILE . . . 172.35 44.48 0.04 OUTLIER Glycine 0 C--N 1.335 0.482 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.909 HD13 ' O ' ' A' ' 28' ' ' GLY . 2.6 mm -139.14 -176.37 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 124.258 1.023 . . . . 0.0 109.962 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.769 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -75.83 154.64 36.03 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.718 0.294 . . . . 0.0 110.872 -177.359 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.833 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -85.61 164.86 17.47 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -176.794 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.846 ' HB3' HG13 ' A' ' 21' ' ' VAL . 4.3 p -90.27 175.13 7.24 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 114.246 -1.343 . . . . 0.0 114.482 -177.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 91.04 48.4 0.0 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.906 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.608 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 4.4 t70 59.85 109.09 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.183 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.638 ' N ' HG22 ' A' ' 6' ' ' ILE . 28.8 t70 163.09 -105.46 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.562 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 72.8 m -120.24 135.85 54.85 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.16 -0.962 . . . . 0.0 112.284 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.883 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 12.5 p -142.23 171.66 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.041 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.699 ' N ' HG22 ' A' ' 37' ' ' VAL . 42.9 t -123.66 123.31 40.26 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 176.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.06 ' HB2' HD21 ' A' ' 9' ' ' LEU . . . -82.52 150.14 27.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.978 0.418 . . . . 0.0 111.277 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 63.54 14.62 8.19 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.722 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.873 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -64.55 -18.65 65.04 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.196 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.775 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 9.12 -53.83 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 O-C-N 124.298 0.999 . . . . 0.0 113.655 178.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.873 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -37.88 -23.28 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.8 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.572 HG21 ' HA ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -48.46 -49.65 34.63 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.108 -179.58 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' N ' HG22 ' A' ' 44' ' ' THR . 56.7 mt -53.07 -56.3 17.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.694 0.283 . . . . 0.0 111.675 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 47' ' ' ASP . 2.9 tp -70.2 -49.73 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.47 ' N ' HG23 ' A' ' 46' ' ' ILE . 3.1 t0 -57.14 -70.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.931 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 70.4 m80 -50.23 -51.01 47.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.779 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.98 -70.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.426 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.887 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.864 0.364 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.37 124.92 38.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.56 HG12 ' H ' ' A' ' 5' ' ' THR . 1.5 t -143.18 175.08 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.56 ' H ' HG12 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -90.02 124.15 34.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.504 0.668 . . . . 0.0 110.606 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.788 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 10.4 tp -66.27 156.01 6.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.203 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.594 ' H ' ' HB2' ' A' ' 10' ' ' ALA . 0.3 OUTLIER 96.84 -79.34 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 113.966 -1.47 . . . . 0.0 109.414 -179.13 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.4 p -52.44 -44.58 65.58 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.643 ' CD1' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -70.86 -46.03 63.39 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 113.754 -1.566 . . . . 0.0 108.244 175.727 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.594 ' HB2' ' H ' ' A' ' 7' ' ' LYS . . . -46.07 -49.57 16.25 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.723 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.61 -48.73 71.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.106 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.585 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 16.0 mm-40 -31.92 -57.99 0.29 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.831 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.791 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -68.44 -48.88 63.42 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.131 179.278 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER 86.49 -32.01 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.176 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.6 p -138.86 17.32 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.808 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.584 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -129.6 -88.31 0.51 Allowed 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.598 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.861 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.0 p -53.8 -51.2 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.995 ' O ' HG12 ' A' ' 21' ' ' VAL . 1.3 tt0 -48.61 -54.46 14.52 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 121.524 1.965 . . . . 0.0 108.563 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.553 ' CG ' HD11 ' A' ' 45' ' ' LEU . 2.9 tpp180 -51.49 -46.12 63.06 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.049 -1.432 . . . . 0.0 109.192 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.861 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -54.19 -49.04 70.26 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 114.288 -1.324 . . . . 0.0 111.607 -179.498 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.995 HG12 ' O ' ' A' ' 18' ' ' GLU . 10.5 p -49.69 -47.33 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 119.162 0.892 . . . . 0.0 111.492 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 5.5 pt20 -63.04 -70.28 0.22 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.523 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 21.8 mm-40 -49.4 -48.85 46.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.573 0.702 . . . . 0.0 110.484 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.749 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 10.7 m-85 -52.68 -44.49 66.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.818 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . . . -45.53 -46.71 14.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -62.19 -48.92 77.9 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.593 -1.185 . . . . 0.0 108.853 174.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.617 ' CB ' ' HA ' ' A' ' 24' ' ' PHE . . . -41.02 -77.07 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.998 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.37 10.95 0.06 OUTLIER Glycine 0 CA--C 1.529 0.91 0 CA-C-N 115.747 -0.661 . . . . 0.0 113.099 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.596 ' CG1' ' HB3' ' A' ' 24' ' ' PHE . 5.0 pt -102.46 179.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 C-N-CA 123.015 0.526 . . . . 0.0 110.269 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.654 ' O ' HG13 ' A' ' 37' ' ' VAL . 1.5 mtt85 -69.44 123.8 22.22 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.188 -178.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.761 ' HA ' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -125.72 123.26 38.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.466 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.653 ' O ' HG21 ' A' ' 21' ' ' VAL . 1.1 m -148.74 177.31 9.63 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.453 0.644 . . . . 0.0 111.542 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.59 90.94 3.44 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.569 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 10.8 t70 69.29 67.29 0.26 Allowed 'General case' 0 C--O 1.231 0.124 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -176.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.588 ' HB3' ' CB ' ' A' ' 32' ' ' SER . 49.6 t0 -168.62 -113.56 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.683 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.95 121.18 29.23 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.788 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 54.8 t -145.24 175.59 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.986 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.643 ' O ' HD21 ' A' ' 20' ' ' LEU . 8.4 t -99.52 123.64 43.98 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.443 ' HB1' HD11 ' A' ' 9' ' ' LEU . . . -86.87 154.62 20.72 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 72.25 5.25 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.394 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.536 ' CB ' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -71.69 -17.7 62.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.281 179.277 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.39 -36.74 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' GLU . 60.1 mt-30 -45.67 -44.88 13.75 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.129 0.49 . . . . 0.0 110.657 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.732 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -67.2 -40.69 86.53 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.337 178.429 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.553 HD11 ' CG ' ' A' ' 19' ' ' ARG . 1.1 tt -44.62 -48.86 10.47 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.7 mt -49.81 -46.74 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 175.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' A' ' 44' ' ' THR . 3.5 t0 -49.07 -49.18 42.84 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.15 -1.386 . . . . 0.0 111.274 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.544 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 70.1 m80 -48.9 -49.47 39.7 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.152 0.501 . . . . 0.0 109.801 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 tp -51.46 -70.0 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.274 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.828 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.92 0.39 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -120.12 126.88 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.47 ' HB ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -143.7 176.13 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.474 ' C ' HG12 ' A' ' 37' ' ' VAL . 1.1 p -87.24 124.52 33.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.148 0.499 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.958 HD13 ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -51.72 150.82 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.287 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.958 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.3 OUTLIER 97.6 -64.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 125.144 1.528 . . . . 0.0 108.502 -179.244 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 m -58.44 -45.98 87.46 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.858 HD11 ' HB2' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -71.04 -46.53 61.89 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.321 175.738 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.747 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . . . -46.53 -49.6 18.37 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.868 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -48.49 80.33 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -31.48 -70.29 0.07 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.704 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.84 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -70.24 -49.2 52.41 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.581 179.409 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 7.8 tp60 85.84 -32.14 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.905 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 m -132.76 11.49 4.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.961 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.575 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -129.62 -88.29 0.51 Allowed 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.885 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.7 p -49.89 -49.41 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.536 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 2.1 tt0 -48.55 -60.25 2.85 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 121.053 1.751 . . . . 0.0 109.651 178.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -46.25 56.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.445 -1.252 . . . . 0.0 110.826 178.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.885 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -56.0 -48.9 75.05 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.59 -1.187 . . . . 0.0 111.01 -178.643 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.03 HG22 HG23 ' A' ' 37' ' ' VAL . 0.8 OUTLIER -49.56 -48.83 19.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 O-C-N 121.953 -0.467 . . . . 0.0 111.984 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.414 ' HG3' ' CB ' ' A' ' 32' ' ' SER . 19.2 mt-30 -60.91 -70.5 0.18 Allowed 'General case' 0 C--O 1.246 0.874 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.538 ' HB2' HD23 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -48.69 -47.45 40.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.917 0.865 . . . . 0.0 109.79 -179.463 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.878 ' CZ ' ' HB ' ' A' ' 44' ' ' THR . 2.3 m-85 -51.16 -44.04 61.39 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.135 -1.393 . . . . 0.0 111.76 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB1' ' HG3' ' A' ' 31' ' ' LYS . . . -45.17 -46.83 12.31 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 177.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.38 -49.2 72.54 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.079 175.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.624 ' CB ' ' HA ' ' A' ' 24' ' ' PHE . . . -44.97 -71.43 0.08 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.755 0.788 . . . . 0.0 111.681 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.9 ' O ' HD13 ' A' ' 29' ' ' ILE . . . 156.87 43.74 0.02 OUTLIER Glycine 0 C--N 1.33 0.21 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -178.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.9 HD13 ' O ' ' A' ' 28' ' ' GLY . 1.8 mm -136.71 -176.65 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 113.796 -1.202 . . . . 0.0 109.916 -176.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.662 ' H ' HG22 ' A' ' 29' ' ' ILE . 20.8 mmt180 -73.91 149.21 41.6 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.949 -0.301 . . . . 0.0 110.717 -177.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.636 ' C ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -81.91 159.16 23.71 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.43 1.081 . . . . 0.0 113.839 -177.323 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.61 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -92.53 176.18 6.55 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.289 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.639 ' H ' HD12 ' A' ' 6' ' ' ILE . . . 92.16 47.25 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.788 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.559 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 10.2 t0 60.05 103.98 0.02 OUTLIER 'General case' 0 C--O 1.23 0.064 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.038 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.536 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 60.8 t0 168.55 -109.71 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.639 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.409 ' CB ' ' HB3' ' A' ' 30' ' ' ARG . 2.2 p -117.44 137.09 52.74 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 120.928 -1.107 . . . . 0.0 112.241 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.03 HG23 HG22 ' A' ' 21' ' ' VAL . 7.9 p -139.2 165.2 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.166 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.762 ' O ' HD21 ' A' ' 20' ' ' LEU . 30.5 t -123.51 122.84 39.25 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.858 ' HB2' HD11 ' A' ' 9' ' ' LEU . . . -83.81 153.91 23.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.722 0.296 . . . . 0.0 110.741 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.22 15.84 9.36 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.596 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 1.1 mm-40 -96.99 -21.48 17.39 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.451 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.471 ' N ' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -36.67 -32.5 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.139 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -46.52 -51.16 16.02 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 111.126 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.878 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -56.89 -40.77 76.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.974 178.639 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.546 ' C ' HD13 ' A' ' 45' ' ' LEU . 3.4 tm? -44.89 -48.99 11.21 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -178.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 53.9 mt -49.82 -46.99 22.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 44' ' ' THR . 4.3 t0 -49.82 -51.97 35.78 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.597 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 71.9 m80 -49.69 -49.68 46.68 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 121.084 0.469 . . . . 0.0 109.868 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.07 -69.86 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.157 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.812 0.339 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -84.6 127.78 34.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.594 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -144.09 175.82 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.141 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.581 ' H ' HG12 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -72.85 124.56 25.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.954 0.883 . . . . 0.0 112.736 -178.528 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.875 HD12 ' HB2' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -56.46 154.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 113.763 -1.562 . . . . 0.0 110.735 178.018 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.739 ' H ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER 94.16 -79.06 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 113.918 -1.492 . . . . 0.0 110.846 178.664 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.04 -51.87 28.66 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.594 HD22 ' HB ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -71.27 -45.82 62.31 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.24 -1.346 . . . . 0.0 109.71 176.564 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.875 ' HB2' HD12 ' A' ' 6' ' ' ILE . . . -46.03 -59.92 2.57 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.15 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.62 80.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.687 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -26.75 -58.6 0.09 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.981 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.786 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -67.6 -49.05 64.97 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.454 0.645 . . . . 0.0 111.015 -179.635 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 15' ' ' THR . 23.2 tt0 82.27 91.89 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.593 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 2.0 m 85.58 -1.19 0.78 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.913 -178.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.602 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -108.4 -95.4 0.39 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.21 179.469 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.816 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -52.96 -49.19 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -178.503 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 1.141 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.5 tt0 -48.79 -50.16 35.42 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 120.375 1.443 . . . . 0.0 110.209 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -49.18 -45.7 44.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.256 1.027 . . . . 0.0 109.602 178.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.816 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -61.99 -47.12 86.21 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.416 -1.72 . . . . 0.0 111.746 -179.736 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.141 HG22 ' O ' ' A' ' 18' ' ' GLU . 19.2 m -47.39 -46.49 10.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 122.143 -0.348 . . . . 0.0 111.655 -177.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -68.19 -64.76 0.8 Allowed 'General case' 0 C--O 1.241 0.612 0 C-N-CA 120.195 -0.602 . . . . 0.0 112.39 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.487 ' C ' ' NE2' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -49.44 -55.83 11.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.054 0.454 . . . . 0.0 111.246 -179.24 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.715 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . 5.2 m-85 -50.52 -45.37 56.59 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.751 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -45.39 -47.18 13.54 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -64.36 -49.04 73.23 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.517 175.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.764 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -40.52 -72.99 0.05 Allowed 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.84 0.829 . . . . 0.0 112.246 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.835 ' C ' HD12 ' A' ' 29' ' ' ILE . . . 162.51 36.65 0.02 OUTLIER Glycine 0 CA--C 1.521 0.431 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.835 HD12 ' C ' ' A' ' 28' ' ' GLY . 1.8 mp -124.63 -178.91 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 125.427 1.491 . . . . 0.0 107.993 -177.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.601 ' HB2' ' HA ' ' A' ' 37' ' ' VAL . 12.5 mtt180 -77.94 159.01 29.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.815 0.734 . . . . 0.0 109.17 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.751 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -84.3 163.49 19.59 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -174.819 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.652 ' HB3' HG23 ' A' ' 21' ' ' VAL . 92.1 p -91.86 176.17 6.62 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 112.919 -1.946 . . . . 0.0 113.363 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 94.81 54.96 0.0 OUTLIER 'General case' 0 C--N 1.339 0.141 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.991 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.492 ' H ' HG13 ' A' ' 6' ' ' ILE . 13.9 t70 51.49 96.83 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.67 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.534 ' H ' HG23 ' A' ' 6' ' ' ILE . 27.9 t0 175.43 -120.51 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.368 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 36.4 m -122.26 124.2 43.22 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.284 -0.885 . . . . 0.0 111.545 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.961 HG11 HG12 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -146.33 178.58 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.817 -178.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.577 ' H ' HG22 ' A' ' 37' ' ' VAL . 12.0 t -107.15 123.67 48.59 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.517 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . . . -89.9 160.82 16.24 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.731 0.3 . . . . 0.0 110.248 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.33 19.44 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.007 0.432 . . . . 0.0 110.165 -178.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.87 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -61.04 -21.06 63.27 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.009 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.636 ' N ' HD13 ' A' ' 20' ' ' LEU . 5.0 mttt 29.74 -60.43 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.276 0.985 . . . . 0.0 113.644 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.87 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -39.22 -19.02 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -179.508 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.639 HG21 ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -47.89 -49.22 30.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.714 0.292 . . . . 0.0 111.275 -179.672 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.482 ' N ' ' CG2' ' A' ' 44' ' ' THR . 74.7 mt -62.53 -55.61 25.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.878 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.514 HG23 ' N ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -64.7 -49.67 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.514 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -59.33 -69.71 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.833 -179.12 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.764 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 69.9 m80 -49.87 -50.02 47.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.74 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.489 HD23 ' OD1' ' A' ' 50' ' ' ASN . 0.8 OUTLIER -53.95 -68.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 111.154 -179.705 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.489 ' OD1' HD23 ' A' ' 49' ' ' LEU . 24.3 m-20 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.842 0.354 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 1.2 m-20 -93.22 124.52 37.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.543 HG22 ' H ' ' A' ' 5' ' ' THR . 9.7 p -141.74 170.6 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.05 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.59 ' HB ' ' O ' ' A' ' 35' ' ' ASP . 18.4 p -73.29 124.52 25.86 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.146 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.678 ' CG2' ' HB ' ' A' ' 37' ' ' VAL . 1.9 pp -91.36 -178.14 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.716 ' H ' ' HB2' ' A' ' 10' ' ' ALA . 0.3 OUTLIER 99.84 -77.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 113.225 -1.807 . . . . 0.0 107.947 -178.067 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.3 p -62.77 -39.95 95.77 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -70.63 -44.14 67.82 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 113.023 -1.899 . . . . 0.0 108.391 175.556 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.786 ' HB1' ' HA ' ' A' ' 18' ' ' GLU . . . -44.95 -50.12 10.73 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.708 -178.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.78 -48.42 69.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.251 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.477 ' HB3' HD13 ' A' ' 9' ' ' LEU . 17.5 tt0 -28.11 -58.85 0.12 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.938 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.967 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -64.36 -48.26 76.18 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.806 -179.713 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.424 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 3.3 tt0 82.44 107.34 0.06 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.987 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 m 66.84 13.95 9.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.349 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.508 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -125.37 -95.88 0.45 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.744 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.967 HG12 ' HB2' ' A' ' 13' ' ' ARG . 3.4 p -53.02 -49.06 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.786 ' HA ' ' HB1' ' A' ' 10' ' ' ALA . 17.4 tt0 -49.22 -60.28 2.94 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 120.809 1.641 . . . . 0.0 109.344 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.85 ' HB3' HD11 ' A' ' 45' ' ' LEU . 4.6 mmt-85 -50.97 -46.43 61.27 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.265 -1.334 . . . . 0.0 109.741 177.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.9 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -50.03 -47.77 53.05 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.138 179.652 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.955 HG13 HG21 ' A' ' 37' ' ' VAL . 21.6 t -49.3 -49.33 17.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 O-C-N 121.905 -0.497 . . . . 0.0 111.841 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -70.7 0.19 Allowed 'General case' 0 C--O 1.243 0.726 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -178.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.574 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -48.91 -48.28 42.69 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.317 0.58 . . . . 0.0 110.539 -179.298 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.833 ' CZ ' ' HB ' ' A' ' 44' ' ' THR . 8.5 m-85 -51.84 -44.35 63.55 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.805 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.497 ' HB2' ' CB ' ' A' ' 31' ' ' LYS . . . -45.37 -46.91 13.41 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.77 -48.88 70.32 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.047 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.656 ' CB ' ' HA ' ' A' ' 24' ' ' PHE . . . -41.04 -72.8 0.06 Allowed 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 121.422 0.63 . . . . 0.0 112.185 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.471 ' N ' HD12 ' A' ' 29' ' ' ILE . . . 146.12 35.39 0.06 OUTLIER Glycine 0 CA--C 1.523 0.557 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.303 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.746 HG22 ' H ' ' A' ' 30' ' ' ARG . 2.8 mp -125.61 178.24 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 123.569 0.747 . . . . 0.0 109.321 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.746 ' H ' HG22 ' A' ' 29' ' ' ILE . 5.9 mpt_? -69.34 124.6 24.29 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.045 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.684 ' HA ' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -124.76 124.22 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.092 -179.157 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.722 ' O ' HG11 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -148.12 177.62 9.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.665 0.745 . . . . 0.0 111.818 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 34' ' ' ASP . . . -129.65 85.53 2.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 177.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.635 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER 78.77 66.57 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -175.241 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.59 ' O ' ' HB ' ' A' ' 5' ' ' THR . 7.2 t0 -174.02 -123.34 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.216 -178.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 1.3 p -123.4 123.03 39.76 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.955 HG21 HG13 ' A' ' 21' ' ' VAL . 19.0 t -145.44 175.74 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 113.413 -1.721 . . . . 0.0 108.283 178.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.717 ' O ' HD21 ' A' ' 20' ' ' LEU . 88.6 p -96.15 124.15 40.04 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 121.632 -0.667 . . . . 0.0 109.88 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.406 ' HB2' HG12 ' A' ' 4' ' ' VAL . . . -87.83 154.92 20.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.409 ' CG ' ' NH2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 71.57 2.6 4.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.233 -178.696 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.6 ' CB ' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -70.28 -13.79 62.32 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.143 179.114 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.408 ' HG3' ' HA ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -33.41 -35.64 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.155 0.284 . . . . 0.0 111.72 178.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 41' ' ' GLU . 4.5 mm100 -44.88 -45.77 10.47 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.918 0.389 . . . . 0.0 110.655 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.833 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -70.18 -40.67 74.52 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.492 178.035 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.85 HD11 ' HB3' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -44.57 -49.36 10.17 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.273 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 1.3 tt -50.87 -46.15 29.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 175.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.585 ' CB ' ' O ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -49.05 -49.19 42.54 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.22 179.218 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.613 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 73.1 m80 -49.26 -49.48 43.19 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.131 0.491 . . . . 0.0 109.854 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 tp -52.25 -66.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.182 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.898 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.799 0.333 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -123.52 136.44 54.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.611 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -143.72 175.89 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.531 ' H ' HG12 ' A' ' 4' ' ' VAL . 1.3 p -84.69 124.8 31.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.183 0.516 . . . . 0.0 110.858 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.986 HD13 ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -52.55 146.31 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.839 179.465 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.986 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.6 OUTLIER 109.55 -74.42 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 125.003 1.439 . . . . 0.0 109.03 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.1 p -57.05 -45.34 83.28 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.012 HD21 ' HB2' ' A' ' 39' ' ' ALA . 9.8 tp -70.45 -46.35 64.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.351 176.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.839 ' HB1' ' CG ' ' A' ' 18' ' ' GLU . . . -46.52 -50.0 17.77 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.277 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.65 -48.78 71.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.621 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -30.62 -66.68 0.1 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.102 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 1.023 ' HB2' HG12 ' A' ' 17' ' ' VAL . 3.1 mpt_? -70.14 -49.43 50.71 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.59 0.709 . . . . 0.0 110.577 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 77.21 102.96 0.07 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.661 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 m 78.38 2.92 2.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.438 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.751 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -116.97 -95.53 0.48 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 119.211 -0.423 . . . . 0.0 111.047 179.667 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.023 HG12 ' HB2' ' A' ' 13' ' ' ARG . 4.0 p -49.38 -49.14 18.39 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 CA-C-O 118.235 -0.888 . . . . 0.0 113.157 -178.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.839 ' CG ' ' HB1' ' A' ' 10' ' ' ALA . 63.5 tt0 -48.39 -53.96 15.75 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 120.541 1.519 . . . . 0.0 108.793 177.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -50.33 -46.14 55.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.986 -1.461 . . . . 0.0 109.972 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.789 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 8.1 mt -56.23 -48.59 76.19 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.998 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.943 HG22 ' CG2' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -48.28 -48.09 13.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.197 -178.622 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -70.43 0.22 Allowed 'General case' 0 C--O 1.245 0.82 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.643 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 9.6 mm-40 -48.96 -48.87 42.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.488 0.661 . . . . 0.0 110.007 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.787 ' CZ ' ' HB ' ' A' ' 44' ' ' THR . 7.9 m-85 -51.34 -43.98 61.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.288 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.582 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -44.99 -46.52 11.19 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 105.188 -2.152 . . . . 0.0 105.188 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.67 -49.36 75.44 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.103 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.694 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -46.13 -71.97 0.06 Allowed 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.786 0.803 . . . . 0.0 111.624 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.719 ' H ' HD12 ' A' ' 29' ' ' ILE . . . 160.23 43.58 0.02 OUTLIER Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.824 HG22 ' H ' ' A' ' 30' ' ' ARG . 1.7 mp -140.61 -178.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 124.28 1.032 . . . . 0.0 109.341 -177.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.824 ' H ' HG22 ' A' ' 29' ' ' ILE . 1.0 OUTLIER -75.07 151.38 38.67 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 121.982 -0.449 . . . . 0.0 110.931 -177.322 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.683 ' C ' HG12 ' A' ' 21' ' ' VAL . 3.4 ttpt -86.6 163.29 17.52 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.603 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.626 ' CB ' ' HB ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -91.58 175.49 6.89 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.989 -178.245 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 97.69 46.31 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.948 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.719 ' H ' HD12 ' A' ' 6' ' ' ILE . 2.0 t0 60.64 108.89 0.02 OUTLIER 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.487 ' N ' HG22 ' A' ' 6' ' ' ILE . 4.0 m-20 160.39 -106.75 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.821 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.448 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 49.8 m -119.74 135.78 54.7 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 120.997 -1.064 . . . . 0.0 112.827 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.943 ' CG2' HG22 ' A' ' 21' ' ' VAL . 12.6 p -140.21 166.71 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.344 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.747 ' HB2' HG21 ' A' ' 29' ' ' ILE . 6.6 m -124.43 123.33 39.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.304 176.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.012 ' HB2' HD21 ' A' ' 9' ' ' LEU . . . -87.18 154.69 20.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.62 0.247 . . . . 0.0 110.551 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 75.28 9.47 3.78 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -77.94 -21.26 51.33 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.874 179.261 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.618 ' N ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -29.37 -36.11 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -55.39 -55.01 36.52 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.774 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.787 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -62.12 -41.67 98.47 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.63 ' HB2' HD22 ' A' ' 20' ' ' LEU . 1.5 tm? -45.09 -49.07 11.91 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.717 -0.614 . . . . 0.0 109.405 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.2 mm -49.96 -46.92 23.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 175.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 44' ' ' THR . 1.5 t70 -49.61 -51.03 40.33 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.574 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.694 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 73.1 m80 -49.68 -49.55 47.06 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.147 0.499 . . . . 0.0 109.951 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.48 -69.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.066 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.859 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.896 0.379 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.93 132.12 46.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.86 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.698 ' O ' ' O ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER -143.38 175.44 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.36 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.548 ' H ' HG12 ' A' ' 4' ' ' VAL . 58.4 p -85.41 124.14 31.66 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.825 0.821 . . . . 0.0 111.491 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 1.041 HD13 HG21 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -57.25 147.82 5.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 114.119 -1.4 . . . . 0.0 109.902 178.38 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.731 ' H ' HD12 ' A' ' 6' ' ' ILE . 1.7 tmtm? 97.64 -71.08 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.817 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -42.46 69.41 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.743 HD12 HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -70.7 -45.91 64.09 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 113.629 -1.623 . . . . 0.0 108.025 175.652 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.639 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . . . -46.46 -49.35 18.38 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.408 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.84 -48.86 72.84 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.729 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.538 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 17.0 mm-40 -36.41 -70.25 0.09 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.068 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.83 ' HB2' HG12 ' A' ' 17' ' ' VAL . 10.0 mmt180 -70.41 -48.9 53.94 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.609 0.719 . . . . 0.0 109.879 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 82.47 -45.04 0.15 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.762 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 t -116.66 6.97 13.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.157 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.513 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -122.41 -87.8 0.63 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.468 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.843 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.7 p -54.69 -48.34 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -178.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' HB2' ' CA ' ' A' ' 10' ' ' ALA . 28.6 tt0 -47.11 -54.52 10.28 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 121.364 1.893 . . . . 0.0 109.569 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -47.2 71.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.371 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.898 HD12 ' N ' ' A' ' 21' ' ' VAL . 0.2 OUTLIER -54.22 -48.48 71.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.872 -179.447 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.041 HG21 HD13 ' A' ' 6' ' ' ILE . 2.0 t -48.93 -48.79 16.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -67.81 0.4 Allowed 'General case' 0 C--O 1.245 0.824 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.668 ' CG ' HD13 ' A' ' 45' ' ' LEU . 61.6 mm-40 -48.51 -47.97 38.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.516 0.674 . . . . 0.0 109.35 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.728 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 8.2 m-85 -49.51 -44.43 46.21 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.766 179.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -44.99 -46.41 11.14 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 178.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -49.45 76.43 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.213 175.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 1.119 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -48.84 -76.81 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.555 0.693 . . . . 0.0 112.332 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.42 ' H ' ' H ' ' A' ' 29' ' ' ILE . . . 170.46 7.13 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.367 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.588 ' HB ' ' HB3' ' A' ' 24' ' ' PHE . 1.4 mp -97.53 -179.04 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 124.914 1.285 . . . . 0.0 107.939 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.58 ' H ' HG23 ' A' ' 29' ' ' ILE . 2.3 tpp85 -77.53 159.93 28.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 119.328 0.967 . . . . 0.0 111.278 -176.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.804 ' C ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -87.67 165.81 15.13 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -177.335 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.662 ' HA ' HG12 ' A' ' 6' ' ' ILE . 1.6 t -85.99 162.45 18.5 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 114.627 -1.17 . . . . 0.0 112.741 -178.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 98.57 46.61 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.46 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.505 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 1.2 t70 66.82 114.09 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.027 0.441 . . . . 0.0 111.202 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.611 ' N ' HG23 ' A' ' 6' ' ' ILE . 7.5 t0 178.31 -144.8 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.332 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 8.1 t -128.24 91.38 3.24 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.391 -0.818 . . . . 0.0 111.253 177.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.992 HG21 HG13 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -108.69 176.86 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -178.218 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.55 ' H ' HG22 ' A' ' 37' ' ' VAL . 4.5 m -103.78 124.08 48.24 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.776 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.479 ' HB2' ' HG ' ' A' ' 9' ' ' LEU . . . -84.69 156.06 21.65 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.699 0.285 . . . . 0.0 110.542 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 74.82 0.08 3.46 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.619 ' HB2' HD22 ' A' ' 20' ' ' LEU . 10.0 mm-40 -73.75 -18.07 61.02 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.435 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.427 ' HA ' HD23 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -32.46 -35.55 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 179.334 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -49.84 -52.92 28.84 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 179.723 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.626 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -70.14 -41.35 74.01 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.056 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.699 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 0.1 OUTLIER -45.83 -48.89 15.74 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -179.683 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.469 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 66.3 mt -54.98 -45.73 76.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 175.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 44' ' ' THR . 3.8 t70 -48.44 -70.19 0.1 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.621 -1.172 . . . . 0.0 113.014 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 1.119 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 13.7 p-80 -65.85 -48.35 71.87 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.805 HD23 ' N ' ' A' ' 50' ' ' ASN . 4.8 tt -49.25 -70.15 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.702 0.287 . . . . 0.0 111.37 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.805 ' N ' HD23 ' A' ' 49' ' ' LEU . 1.8 t30 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.733 0.302 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.07 127.91 36.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.021 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.547 ' HB ' HD12 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -143.57 175.82 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.468 ' H ' HG12 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -88.22 124.51 33.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.379 0.609 . . . . 0.0 110.936 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.944 HD13 ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -53.36 151.73 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.713 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.944 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER 97.3 -64.25 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.636 1.21 . . . . 0.0 108.465 -178.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 m -61.21 -46.42 90.53 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.995 HD11 ' HB2' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -70.75 -46.87 62.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.134 -1.394 . . . . 0.0 108.267 176.131 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.804 ' HB1' ' CG ' ' A' ' 18' ' ' GLU . . . -46.74 -49.66 19.27 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.538 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' GLU . . . -59.09 -48.69 80.68 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.151 177.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -33.71 -71.55 0.06 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.825 179.435 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.878 ' HB2' HG12 ' A' ' 17' ' ' VAL . 13.2 mmp_? -70.44 -48.59 55.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.656 0.741 . . . . 0.0 109.666 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.421 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 84.23 -48.59 0.11 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.794 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 p -114.46 15.77 17.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.835 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.439 ' HB2' ' CG ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -131.91 -89.22 0.44 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.908 ' HA ' HD23 ' A' ' 20' ' ' LEU . 2.8 p -51.18 -49.82 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -177.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.804 ' CG ' ' HB1' ' A' ' 10' ' ' ALA . 33.7 tt0 -48.17 -54.72 12.41 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 121.364 1.893 . . . . 0.0 109.836 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -45.42 78.7 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.182 177.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.908 HD23 ' HA ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -53.31 -48.46 68.4 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 113.978 -1.464 . . . . 0.0 111.84 -178.361 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.906 HG22 HG23 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -54.86 -48.94 73.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.462 -179.198 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.444 ' CG ' ' HB2' ' A' ' 32' ' ' SER . 33.7 mt-30 -56.4 -68.85 0.18 Allowed 'General case' 0 C--O 1.242 0.709 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.539 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 33.0 mm-40 -48.81 -49.43 39.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.09 0.471 . . . . 0.0 110.205 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.744 ' HE2' ' O ' ' A' ' 41' ' ' GLU . 6.7 m-85 -52.81 -44.34 66.59 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -45.18 -46.97 12.43 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -62.29 -48.84 78.12 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.878 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.994 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -54.16 -77.4 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.566 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.88 ' O ' HD13 ' A' ' 29' ' ' ILE . . . 171.44 45.41 0.04 OUTLIER Glycine 0 C--N 1.338 0.692 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.324 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.88 HD13 ' O ' ' A' ' 28' ' ' GLY . 1.9 mm -142.19 -178.14 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 123.75 0.82 . . . . 0.0 109.676 -178.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.709 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -74.37 147.46 42.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -178.132 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG2' ' HB1' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -87.54 167.25 14.11 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -176.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.603 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -92.66 175.96 6.63 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 114.433 -1.258 . . . . 0.0 112.277 -178.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.666 ' H ' HD12 ' A' ' 6' ' ' ILE . . . 96.4 43.13 0.0 OUTLIER 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.765 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.634 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 6.1 t70 61.35 105.04 0.02 OUTLIER 'General case' 0 C--O 1.231 0.096 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.356 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.589 ' N ' HG22 ' A' ' 6' ' ' ILE . 34.8 t70 166.71 -109.08 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.558 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.447 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 2.0 p -118.56 136.92 53.58 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.061 -1.024 . . . . 0.0 112.036 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.906 HG23 HG22 ' A' ' 21' ' ' VAL . 11.2 p -139.41 166.76 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.513 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.884 ' O ' HD21 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -123.6 123.26 40.19 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.608 176.512 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.995 ' HB2' HD11 ' A' ' 9' ' ' LEU . . . -80.56 146.65 31.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.902 0.382 . . . . 0.0 111.208 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.58 2.89 4.46 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.784 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.822 ' HB3' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -77.99 -5.59 51.77 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.331 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.529 ' N ' HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -32.73 -25.62 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 179.148 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.587 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -47.75 -13.67 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.538 0.208 . . . . 0.0 111.348 178.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.576 ' OG1' ' CE1' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -47.1 -48.66 22.82 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.618 0.246 . . . . 0.0 111.036 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.754 ' O ' HD13 ' A' ' 49' ' ' LEU . 47.9 mt -49.35 -49.94 42.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.401 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 31.2 mt -70.33 -61.37 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.83 -64.33 0.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.994 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 50.6 m80 -49.71 -49.48 47.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.754 HD13 ' O ' ' A' ' 45' ' ' LEU . 6.2 mp -53.34 -69.89 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m120 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.874 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.855 0.36 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.8 135.08 42.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.68 ' CG1' HD23 ' A' ' 9' ' ' LEU . 2.9 t -140.44 167.91 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.0 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.515 ' H ' HG12 ' A' ' 4' ' ' VAL . 40.0 p -73.13 124.24 25.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.558 0.694 . . . . 0.0 111.448 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.957 HD13 HG21 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -51.22 149.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.656 178.465 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.695 ' H ' HD12 ' A' ' 6' ' ' ILE . 0.4 OUTLIER 97.89 -77.27 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.958 -1.474 . . . . 0.0 109.957 179.376 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.94 -44.26 29.97 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 106.511 -1.662 . . . . 0.0 106.511 177.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.759 ' HB3' HG21 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -71.42 -46.93 58.91 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 113.602 -1.636 . . . . 0.0 108.757 175.82 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.789 ' HB2' HD12 ' A' ' 6' ' ' ILE . . . -46.82 -54.83 9.01 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.061 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' GLU . . . -59.09 -48.46 81.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' ALA . 9.9 tp10 -30.24 -71.54 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.918 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.667 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -70.51 -49.34 49.35 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.781 179.506 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.422 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 84.79 -28.32 0.09 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.751 -179.473 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.3 p -132.86 8.73 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.011 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.526 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -127.94 -89.27 0.53 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.102 179.746 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.921 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -49.56 -51.15 15.8 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.3 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' N ' ' HA ' ' A' ' 10' ' ' ALA . 4.4 tt0 -48.35 -50.08 31.83 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 121.176 1.807 . . . . 0.0 109.23 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -58.87 -46.51 87.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.966 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.921 HD23 ' HA ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -49.32 -48.54 46.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.985 -1.461 . . . . 0.0 110.442 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.989 HG13 HG21 ' A' ' 37' ' ' VAL . 2.5 t -54.13 -50.95 51.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.803 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -61.15 -70.22 0.2 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.58 ' O ' ' NE2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -49.72 -49.57 47.34 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.489 -179.024 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.696 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 9.4 m-85 -56.56 -45.28 81.36 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -178.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.818 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -45.61 -47.17 14.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.29 -48.98 71.27 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.474 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.922 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . . . -44.39 -72.75 0.05 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.739 0.781 . . . . 0.0 112.086 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 170.76 40.96 0.03 OUTLIER Glycine 0 C--N 1.333 0.404 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.782 HG22 ' H ' ' A' ' 30' ' ' ARG . 1.1 mt -136.28 -175.61 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 113.615 -1.293 . . . . 0.0 108.776 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.782 ' H ' HG22 ' A' ' 29' ' ' ILE . 1.4 mtt-85 -82.03 171.1 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.014 -0.674 . . . . 0.0 111.57 -176.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.818 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 7.4 mptt -87.97 166.6 14.38 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -176.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.713 ' HA ' HG12 ' A' ' 6' ' ' ILE . 27.5 p -100.64 176.04 5.45 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 114.079 -1.419 . . . . 0.0 113.083 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 91.74 55.17 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.615 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 0.4 OUTLIER 58.26 102.87 0.02 OUTLIER 'General case' 0 CA--C 1.527 0.094 0 CA-C-O 120.906 0.384 . . . . 0.0 110.693 -179.8 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.661 ' N ' HG23 ' A' ' 6' ' ' ILE . 5.3 t70 175.86 -141.09 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.608 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 6.0 p -120.51 118.4 30.15 Favored 'General case' 0 C--O 1.223 -0.309 0 O-C-N 121.523 -0.735 . . . . 0.0 111.141 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.989 HG21 HG13 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -145.42 179.4 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.474 -178.342 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.68 ' O ' HD21 ' A' ' 20' ' ' LEU . 5.0 t -83.02 157.71 22.8 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.399 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.608 ' HA ' HD21 ' A' ' 20' ' ' LEU . . . -121.8 144.56 48.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 66.59 6.33 4.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.88 0.371 . . . . 0.0 110.421 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.92 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.2 OUTLIER -55.64 -22.85 24.73 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.364 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.0 OUTLIER 11.61 -48.63 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 178.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.92 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -39.98 -19.79 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.757 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.556 ' HB ' ' CE2' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -48.2 -49.22 33.71 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.861 0.362 . . . . 0.0 110.92 179.549 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.461 ' N ' ' CG2' ' A' ' 44' ' ' THR . 1.3 mt -51.5 -53.97 31.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.732 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.534 ' H ' HD12 ' A' ' 46' ' ' ILE . 3.4 mp -70.25 -57.15 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.74 -68.1 0.2 Allowed 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.922 ' NE2' ' HB2' ' A' ' 27' ' ' ALA . 66.9 m80 -49.84 -49.63 48.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.374 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 49' ' ' LEU . 15.0 mt -50.32 -70.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.149 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 m120 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.163 -0.923 . . . . 0.0 111.024 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.735 0.302 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -125.8 131.99 52.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.795 ' HB ' HD22 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -143.66 175.62 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 179.603 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.556 ' H ' HG12 ' A' ' 4' ' ' VAL . 0.7 OUTLIER -85.83 124.75 32.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.501 0.667 . . . . 0.0 111.207 -179.639 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.947 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 6.0 tp -56.8 155.28 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.337 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.579 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER 96.01 -71.47 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 124.928 1.393 . . . . 0.0 108.634 -179.189 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -43.02 76.32 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 176.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.863 HD21 ' HB2' ' A' ' 39' ' ' ALA . 6.0 tp -71.05 -47.03 60.81 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 113.962 -1.472 . . . . 0.0 108.589 176.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.83 ' HB1' ' CG ' ' A' ' 18' ' ' GLU . . . -46.92 -49.61 20.22 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.644 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.52 81.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.992 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' OE2' HD12 ' A' ' 9' ' ' LEU . 4.0 tt0 -34.46 -72.52 0.05 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.643 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.862 ' HB2' HG12 ' A' ' 17' ' ' VAL . 1.9 mmm180 -70.8 -48.54 53.62 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.709 0.766 . . . . 0.0 109.511 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 81.3 -52.52 0.29 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.316 -1.311 . . . . 0.0 110.538 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.6 t -106.21 11.33 31.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.851 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -129.76 -91.0 0.46 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.619 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.863 ' HA ' HD23 ' A' ' 20' ' ' LEU . 3.9 p -49.88 -49.76 20.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.83 ' CG ' ' HB1' ' A' ' 10' ' ' ALA . 1.2 tt0 -48.83 -49.66 38.12 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 121.838 2.108 . . . . 0.0 110.183 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -60.41 -45.31 94.04 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 122.128 0.966 . . . . 0.0 110.232 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.863 HD23 ' HA ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -55.27 -49.18 72.74 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 113.588 -1.642 . . . . 0.0 112.171 -177.807 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.819 ' HB ' HG23 ' A' ' 37' ' ' VAL . 6.7 p -54.91 -47.91 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.43 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.413 ' N ' HG13 ' A' ' 21' ' ' VAL . 34.2 mt-30 -54.29 -69.73 0.12 Allowed 'General case' 0 C--O 1.244 0.776 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.251 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.486 ' O ' ' NE2' ' A' ' 48' ' ' HIS . 1.2 mp0 -49.81 -49.52 48.5 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.653 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.696 ' HE2' ' O ' ' A' ' 41' ' ' GLU . 9.6 m-85 -53.13 -45.38 68.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.751 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -45.95 -46.97 16.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 177.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -48.87 75.09 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.182 175.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.953 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -48.23 -74.57 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 121.631 0.729 . . . . 0.0 111.521 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.878 ' O ' HD13 ' A' ' 29' ' ' ILE . . . 168.13 46.84 0.03 OUTLIER Glycine 0 C--N 1.336 0.529 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.878 HD13 ' O ' ' A' ' 28' ' ' GLY . 2.1 mm -140.46 -176.7 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.174 -1.013 . . . . 0.0 109.974 -177.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.72 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -75.51 152.5 37.82 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.516 -177.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.751 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -84.33 162.24 20.13 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -176.399 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.715 ' HB3' HG13 ' A' ' 21' ' ' VAL . 8.1 p -91.66 175.44 6.9 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 114.046 -1.433 . . . . 0.0 113.971 -177.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 89.16 55.08 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 114.066 -1.424 . . . . 0.0 110.752 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.579 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 1.4 t70 58.53 97.73 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.065 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.51 ' N ' HG22 ' A' ' 6' ' ' ILE . 61.6 t0 173.24 -113.26 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.373 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.448 ' HB3' ' HG2' ' A' ' 30' ' ' ARG . 50.6 m -120.24 137.23 54.34 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.163 -0.961 . . . . 0.0 112.026 177.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.947 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 11.6 p -141.49 170.64 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.036 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.842 ' O ' HD21 ' A' ' 20' ' ' LEU . 2.3 t -118.08 123.76 46.41 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 176.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.863 ' HB2' HD21 ' A' ' 9' ' ' LEU . . . -79.68 144.26 33.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.93 0.395 . . . . 0.0 111.445 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.88 5.87 5.26 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.013 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.697 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.4 OUTLIER -75.79 -7.98 55.75 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.449 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' THR . 23.4 pttt -24.73 -30.53 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.697 ' N ' ' O ' ' A' ' 41' ' ' GLU . 94.8 mm-40 -44.28 -16.86 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 178.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.574 ' OG1' ' CE1' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -46.88 -48.4 21.13 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.601 0.239 . . . . 0.0 110.904 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' N ' ' CG2' ' A' ' 44' ' ' THR . 22.9 mt -49.17 -49.63 41.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.653 0.263 . . . . 0.0 111.241 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 mt -69.95 -56.4 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -54.66 -68.8 0.16 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.953 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 66.5 m80 -49.48 -49.85 43.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.606 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 6.9 tt -56.66 -70.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.75 0.31 . . . . 0.0 111.271 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m120 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.952 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.728 0.299 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -122.78 134.91 54.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.955 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.798 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -143.53 175.68 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.715 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.545 ' H ' HG12 ' A' ' 4' ' ' VAL . 0.6 OUTLIER -82.68 125.04 30.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.55 0.691 . . . . 0.0 111.05 -179.698 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.883 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -56.05 151.72 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.138 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.608 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER 103.12 -73.38 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 O-C-N 124.993 1.433 . . . . 0.0 108.917 -179.326 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -58.11 -44.09 87.52 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.06 HD21 ' HB2' ' A' ' 39' ' ' ALA . 12.7 tp -70.48 -46.08 64.46 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.08 -1.418 . . . . 0.0 108.353 176.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.85 ' HB1' ' CG ' ' A' ' 18' ' ' GLU . . . -45.95 -49.85 15.37 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.013 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' GLU . . . -67.24 -48.51 67.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.318 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 7.9 tm-20 -27.04 -67.61 0.06 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.492 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.627 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -70.12 -48.98 55.22 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.7 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 3.7 tp60 81.72 113.88 0.06 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.688 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.3 m 63.01 17.87 10.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.654 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -130.17 -99.76 0.32 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.736 -179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.821 ' HA ' HD12 ' A' ' 20' ' ' LEU . 4.4 p -49.21 -48.38 17.86 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-O 117.946 -1.026 . . . . 0.0 113.051 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.998 ' O ' HG12 ' A' ' 21' ' ' VAL . 52.5 tt0 -48.04 -49.85 29.86 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 121.036 1.744 . . . . 0.0 108.447 177.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -56.02 -45.84 78.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.726 177.292 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 17' ' ' VAL . 46.0 mt -53.53 -52.06 60.86 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.22 -1.354 . . . . 0.0 111.629 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.998 HG12 ' O ' ' A' ' 18' ' ' GLU . 9.6 p -49.23 -46.96 18.67 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.45 -70.4 0.19 Allowed 'General case' 0 C--O 1.242 0.681 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.681 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 5.3 mt-30 -49.3 -54.48 16.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.991 0.425 . . . . 0.0 110.472 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.699 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . 4.7 m-85 -49.79 -44.72 49.17 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.833 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -45.4 -47.15 13.63 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -48.79 75.51 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.995 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.931 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -49.5 -75.12 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.38 0.61 . . . . 0.0 111.576 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.909 ' O ' HD13 ' A' ' 29' ' ' ILE . . . 172.35 44.48 0.04 OUTLIER Glycine 0 C--N 1.335 0.482 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.909 HD13 ' O ' ' A' ' 28' ' ' GLY . 2.6 mm -139.14 -176.37 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 124.258 1.023 . . . . 0.0 109.962 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.769 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -75.83 154.64 36.03 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.718 0.294 . . . . 0.0 110.872 -177.359 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.833 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -85.61 164.86 17.47 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -176.794 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.846 ' HB3' HG13 ' A' ' 21' ' ' VAL . 4.3 p -90.27 175.13 7.24 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 114.246 -1.343 . . . . 0.0 114.482 -177.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 91.04 48.4 0.0 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.906 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.608 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 4.4 t70 59.85 109.09 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.183 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.638 ' N ' HG22 ' A' ' 6' ' ' ILE . 28.8 t70 163.09 -105.46 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.562 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 72.8 m -120.24 135.85 54.85 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.16 -0.962 . . . . 0.0 112.284 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.883 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 12.5 p -142.23 171.66 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.041 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.699 ' N ' HG22 ' A' ' 37' ' ' VAL . 42.9 t -123.66 123.31 40.26 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 176.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.06 ' HB2' HD21 ' A' ' 9' ' ' LEU . . . -82.52 150.14 27.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.978 0.418 . . . . 0.0 111.277 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 63.54 14.62 8.19 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.722 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.873 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -64.55 -18.65 65.04 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.196 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.775 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 9.12 -53.83 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 O-C-N 124.298 0.999 . . . . 0.0 113.655 178.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.873 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -37.88 -23.28 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.8 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.572 HG21 ' HA ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -48.46 -49.65 34.63 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.108 -179.58 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' N ' HG22 ' A' ' 44' ' ' THR . 56.7 mt -53.07 -56.3 17.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.694 0.283 . . . . 0.0 111.675 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 47' ' ' ASP . 2.9 tp -70.2 -49.73 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.47 ' N ' HG23 ' A' ' 46' ' ' ILE . 3.1 t0 -57.14 -70.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.931 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 70.4 m80 -50.23 -51.01 47.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.779 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.98 -70.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.426 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.887 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.864 0.364 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.37 124.92 38.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.56 HG12 ' H ' ' A' ' 5' ' ' THR . 1.5 t -143.18 175.08 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.56 ' H ' HG12 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -90.02 124.15 34.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.504 0.668 . . . . 0.0 110.606 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.788 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 10.4 tp -66.27 156.01 6.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.203 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.594 ' H ' ' HB2' ' A' ' 10' ' ' ALA . 0.3 OUTLIER 96.84 -79.34 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 113.966 -1.47 . . . . 0.0 109.414 -179.13 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.4 p -52.44 -44.58 65.58 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.643 ' CD1' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -70.86 -46.03 63.39 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 113.754 -1.566 . . . . 0.0 108.244 175.727 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.594 ' HB2' ' H ' ' A' ' 7' ' ' LYS . . . -46.07 -49.57 16.25 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.723 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.61 -48.73 71.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.106 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.585 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 16.0 mm-40 -31.92 -57.99 0.29 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.831 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.791 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -68.44 -48.88 63.42 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.131 179.278 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER 86.49 -32.01 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.176 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.6 p -138.86 17.32 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.808 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.584 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -129.6 -88.31 0.51 Allowed 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.598 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.861 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.0 p -53.8 -51.2 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.995 ' O ' HG12 ' A' ' 21' ' ' VAL . 1.3 tt0 -48.61 -54.46 14.52 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 121.524 1.965 . . . . 0.0 108.563 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.553 ' CG ' HD11 ' A' ' 45' ' ' LEU . 2.9 tpp180 -51.49 -46.12 63.06 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.049 -1.432 . . . . 0.0 109.192 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.861 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -54.19 -49.04 70.26 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 114.288 -1.324 . . . . 0.0 111.607 -179.498 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.995 HG12 ' O ' ' A' ' 18' ' ' GLU . 10.5 p -49.69 -47.33 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 119.162 0.892 . . . . 0.0 111.492 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 5.5 pt20 -63.04 -70.28 0.22 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.523 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 21.8 mm-40 -49.4 -48.85 46.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.573 0.702 . . . . 0.0 110.484 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.749 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 10.7 m-85 -52.68 -44.49 66.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.818 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . . . -45.53 -46.71 14.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -62.19 -48.92 77.9 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.593 -1.185 . . . . 0.0 108.853 174.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.617 ' CB ' ' HA ' ' A' ' 24' ' ' PHE . . . -41.02 -77.07 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.998 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.37 10.95 0.06 OUTLIER Glycine 0 CA--C 1.529 0.91 0 CA-C-N 115.747 -0.661 . . . . 0.0 113.099 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.596 ' CG1' ' HB3' ' A' ' 24' ' ' PHE . 5.0 pt -102.46 179.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 C-N-CA 123.015 0.526 . . . . 0.0 110.269 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.654 ' O ' HG13 ' A' ' 37' ' ' VAL . 1.5 mtt85 -69.44 123.8 22.22 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.188 -178.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.761 ' HA ' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -125.72 123.26 38.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.466 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.653 ' O ' HG21 ' A' ' 21' ' ' VAL . 1.1 m -148.74 177.31 9.63 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.453 0.644 . . . . 0.0 111.542 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.59 90.94 3.44 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.569 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 10.8 t70 69.29 67.29 0.26 Allowed 'General case' 0 C--O 1.231 0.124 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -176.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.588 ' HB3' ' CB ' ' A' ' 32' ' ' SER . 49.6 t0 -168.62 -113.56 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.683 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.95 121.18 29.23 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.788 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 54.8 t -145.24 175.59 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.986 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.643 ' O ' HD21 ' A' ' 20' ' ' LEU . 8.4 t -99.52 123.64 43.98 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.443 ' HB1' HD11 ' A' ' 9' ' ' LEU . . . -86.87 154.62 20.72 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 72.25 5.25 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.394 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.536 ' CB ' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -71.69 -17.7 62.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.281 179.277 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.39 -36.74 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' GLU . 60.1 mt-30 -45.67 -44.88 13.75 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.129 0.49 . . . . 0.0 110.657 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.732 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -67.2 -40.69 86.53 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.337 178.429 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.553 HD11 ' CG ' ' A' ' 19' ' ' ARG . 1.1 tt -44.62 -48.86 10.47 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.7 mt -49.81 -46.74 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 175.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' A' ' 44' ' ' THR . 3.5 t0 -49.07 -49.18 42.84 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.15 -1.386 . . . . 0.0 111.274 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.544 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 70.1 m80 -48.9 -49.47 39.7 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.152 0.501 . . . . 0.0 109.801 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 tp -51.46 -70.0 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.274 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.828 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.92 0.39 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -120.12 126.88 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.47 ' HB ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -143.7 176.13 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.474 ' C ' HG12 ' A' ' 37' ' ' VAL . 1.1 p -87.24 124.52 33.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.148 0.499 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.958 HD13 ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -51.72 150.82 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.287 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.958 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.3 OUTLIER 97.6 -64.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 125.144 1.528 . . . . 0.0 108.502 -179.244 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 m -58.44 -45.98 87.46 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.858 HD11 ' HB2' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -71.04 -46.53 61.89 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.321 175.738 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.747 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . . . -46.53 -49.6 18.37 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.868 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -48.49 80.33 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -31.48 -70.29 0.07 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.704 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.84 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -70.24 -49.2 52.41 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.581 179.409 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 7.8 tp60 85.84 -32.14 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.905 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 m -132.76 11.49 4.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.961 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.575 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -129.62 -88.29 0.51 Allowed 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.885 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.7 p -49.89 -49.41 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.536 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 2.1 tt0 -48.55 -60.25 2.85 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 121.053 1.751 . . . . 0.0 109.651 178.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -46.25 56.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.445 -1.252 . . . . 0.0 110.826 178.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.885 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -56.0 -48.9 75.05 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.59 -1.187 . . . . 0.0 111.01 -178.643 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.03 HG22 HG23 ' A' ' 37' ' ' VAL . 0.8 OUTLIER -49.56 -48.83 19.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 O-C-N 121.953 -0.467 . . . . 0.0 111.984 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.414 ' HG3' ' CB ' ' A' ' 32' ' ' SER . 19.2 mt-30 -60.91 -70.5 0.18 Allowed 'General case' 0 C--O 1.246 0.874 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.538 ' HB2' HD23 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -48.69 -47.45 40.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.917 0.865 . . . . 0.0 109.79 -179.463 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.878 ' CZ ' ' HB ' ' A' ' 44' ' ' THR . 2.3 m-85 -51.16 -44.04 61.39 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.135 -1.393 . . . . 0.0 111.76 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB1' ' HG3' ' A' ' 31' ' ' LYS . . . -45.17 -46.83 12.31 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 177.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.38 -49.2 72.54 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.079 175.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.624 ' CB ' ' HA ' ' A' ' 24' ' ' PHE . . . -44.97 -71.43 0.08 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.755 0.788 . . . . 0.0 111.681 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.9 ' O ' HD13 ' A' ' 29' ' ' ILE . . . 156.87 43.74 0.02 OUTLIER Glycine 0 C--N 1.33 0.21 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -178.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.9 HD13 ' O ' ' A' ' 28' ' ' GLY . 1.8 mm -136.71 -176.65 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 113.796 -1.202 . . . . 0.0 109.916 -176.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.662 ' H ' HG22 ' A' ' 29' ' ' ILE . 20.8 mmt180 -73.91 149.21 41.6 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.949 -0.301 . . . . 0.0 110.717 -177.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.636 ' C ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -81.91 159.16 23.71 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.43 1.081 . . . . 0.0 113.839 -177.323 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.61 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -92.53 176.18 6.55 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.289 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.639 ' H ' HD12 ' A' ' 6' ' ' ILE . . . 92.16 47.25 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.788 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.559 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 10.2 t0 60.05 103.98 0.02 OUTLIER 'General case' 0 C--O 1.23 0.064 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.038 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.536 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 60.8 t0 168.55 -109.71 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.639 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.409 ' CB ' ' HB3' ' A' ' 30' ' ' ARG . 2.2 p -117.44 137.09 52.74 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 120.928 -1.107 . . . . 0.0 112.241 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 1.03 HG23 HG22 ' A' ' 21' ' ' VAL . 7.9 p -139.2 165.2 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.166 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.762 ' O ' HD21 ' A' ' 20' ' ' LEU . 30.5 t -123.51 122.84 39.25 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.858 ' HB2' HD11 ' A' ' 9' ' ' LEU . . . -83.81 153.91 23.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.722 0.296 . . . . 0.0 110.741 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.22 15.84 9.36 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.596 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 1.1 mm-40 -96.99 -21.48 17.39 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.451 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.471 ' N ' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -36.67 -32.5 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.139 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -46.52 -51.16 16.02 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 111.126 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.878 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -56.89 -40.77 76.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.974 178.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.546 ' C ' HD13 ' A' ' 45' ' ' LEU . 3.4 tm? -44.89 -48.99 11.21 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -178.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 53.9 mt -49.82 -46.99 22.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 44' ' ' THR . 4.3 t0 -49.82 -51.97 35.78 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.597 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 71.9 m80 -49.69 -49.68 46.68 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 121.084 0.469 . . . . 0.0 109.868 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.07 -69.86 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.157 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.812 0.339 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -84.6 127.78 34.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.594 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -144.09 175.82 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.141 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.581 ' H ' HG12 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -72.85 124.56 25.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.954 0.883 . . . . 0.0 112.736 -178.528 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.875 HD12 ' HB2' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -56.46 154.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 113.763 -1.562 . . . . 0.0 110.735 178.018 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.739 ' H ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER 94.16 -79.06 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 113.918 -1.492 . . . . 0.0 110.846 178.664 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.04 -51.87 28.66 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.594 HD22 ' HB ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -71.27 -45.82 62.31 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.24 -1.346 . . . . 0.0 109.71 176.564 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.875 ' HB2' HD12 ' A' ' 6' ' ' ILE . . . -46.03 -59.92 2.57 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.15 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.62 80.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.687 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -26.75 -58.6 0.09 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.981 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.786 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -67.6 -49.05 64.97 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.454 0.645 . . . . 0.0 111.015 -179.635 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 15' ' ' THR . 23.2 tt0 82.27 91.89 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.593 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 2.0 m 85.58 -1.19 0.78 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.913 -178.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.602 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -108.4 -95.4 0.39 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.21 179.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.816 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -52.96 -49.19 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -178.503 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 1.141 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.5 tt0 -48.79 -50.16 35.42 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 120.375 1.443 . . . . 0.0 110.209 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -49.18 -45.7 44.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.256 1.027 . . . . 0.0 109.602 178.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.816 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -61.99 -47.12 86.21 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.416 -1.72 . . . . 0.0 111.746 -179.736 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.141 HG22 ' O ' ' A' ' 18' ' ' GLU . 19.2 m -47.39 -46.49 10.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 122.143 -0.348 . . . . 0.0 111.655 -177.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -68.19 -64.76 0.8 Allowed 'General case' 0 C--O 1.241 0.612 0 C-N-CA 120.195 -0.602 . . . . 0.0 112.39 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.487 ' C ' ' NE2' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -49.44 -55.83 11.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.054 0.454 . . . . 0.0 111.246 -179.24 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.715 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . 5.2 m-85 -50.52 -45.37 56.59 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.751 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -45.39 -47.18 13.54 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -64.36 -49.04 73.23 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.517 175.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.764 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -40.52 -72.99 0.05 Allowed 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.84 0.829 . . . . 0.0 112.246 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.835 ' C ' HD12 ' A' ' 29' ' ' ILE . . . 162.51 36.65 0.02 OUTLIER Glycine 0 CA--C 1.521 0.431 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.835 HD12 ' C ' ' A' ' 28' ' ' GLY . 1.8 mp -124.63 -178.91 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 125.427 1.491 . . . . 0.0 107.993 -177.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.601 ' HB2' ' HA ' ' A' ' 37' ' ' VAL . 12.5 mtt180 -77.94 159.01 29.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.815 0.734 . . . . 0.0 109.17 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.751 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -84.3 163.49 19.59 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -174.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.652 ' HB3' HG23 ' A' ' 21' ' ' VAL . 92.1 p -91.86 176.17 6.62 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 112.919 -1.946 . . . . 0.0 113.363 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 94.81 54.96 0.0 OUTLIER 'General case' 0 C--N 1.339 0.141 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.991 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.492 ' H ' HG13 ' A' ' 6' ' ' ILE . 13.9 t70 51.49 96.83 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.67 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.534 ' H ' HG23 ' A' ' 6' ' ' ILE . 27.9 t0 175.43 -120.51 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.368 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 36.4 m -122.26 124.2 43.22 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.284 -0.885 . . . . 0.0 111.545 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.961 HG11 HG12 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -146.33 178.58 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.817 -178.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.577 ' H ' HG22 ' A' ' 37' ' ' VAL . 12.0 t -107.15 123.67 48.59 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.517 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . . . -89.9 160.82 16.24 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.731 0.3 . . . . 0.0 110.248 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.33 19.44 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.007 0.432 . . . . 0.0 110.165 -178.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.87 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -61.04 -21.06 63.27 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.009 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.636 ' N ' HD13 ' A' ' 20' ' ' LEU . 5.0 mttt 29.74 -60.43 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.276 0.985 . . . . 0.0 113.644 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.87 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -39.22 -19.02 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -179.508 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.639 HG21 ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -47.89 -49.22 30.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.714 0.292 . . . . 0.0 111.275 -179.672 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.482 ' N ' ' CG2' ' A' ' 44' ' ' THR . 74.7 mt -62.53 -55.61 25.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.878 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.514 HG23 ' N ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -64.7 -49.67 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.514 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -59.33 -69.71 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.833 -179.12 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.764 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 69.9 m80 -49.87 -50.02 47.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.74 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.489 HD23 ' OD1' ' A' ' 50' ' ' ASN . 0.8 OUTLIER -53.95 -68.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 111.154 -179.705 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.489 ' OD1' HD23 ' A' ' 49' ' ' LEU . 24.3 m-20 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.842 0.354 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 1.2 m-20 -93.22 124.52 37.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.543 HG22 ' H ' ' A' ' 5' ' ' THR . 9.7 p -141.74 170.6 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.05 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.59 ' HB ' ' O ' ' A' ' 35' ' ' ASP . 18.4 p -73.29 124.52 25.86 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.146 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.678 ' CG2' ' HB ' ' A' ' 37' ' ' VAL . 1.9 pp -91.36 -178.14 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.716 ' H ' ' HB2' ' A' ' 10' ' ' ALA . 0.3 OUTLIER 99.84 -77.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 113.225 -1.807 . . . . 0.0 107.947 -178.067 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.3 p -62.77 -39.95 95.77 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -70.63 -44.14 67.82 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 113.023 -1.899 . . . . 0.0 108.391 175.556 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.786 ' HB1' ' HA ' ' A' ' 18' ' ' GLU . . . -44.95 -50.12 10.73 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.708 -178.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.78 -48.42 69.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.251 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.477 ' HB3' HD13 ' A' ' 9' ' ' LEU . 17.5 tt0 -28.11 -58.85 0.12 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.938 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.967 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -64.36 -48.26 76.18 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.806 -179.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.424 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 3.3 tt0 82.44 107.34 0.06 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.987 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 m 66.84 13.95 9.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.349 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.508 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -125.37 -95.88 0.45 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.744 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.967 HG12 ' HB2' ' A' ' 13' ' ' ARG . 3.4 p -53.02 -49.06 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.786 ' HA ' ' HB1' ' A' ' 10' ' ' ALA . 17.4 tt0 -49.22 -60.28 2.94 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 120.809 1.641 . . . . 0.0 109.344 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.85 ' HB3' HD11 ' A' ' 45' ' ' LEU . 4.6 mmt-85 -50.97 -46.43 61.27 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.265 -1.334 . . . . 0.0 109.741 177.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.9 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -50.03 -47.77 53.05 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.138 179.652 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.955 HG13 HG21 ' A' ' 37' ' ' VAL . 21.6 t -49.3 -49.33 17.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 O-C-N 121.905 -0.497 . . . . 0.0 111.841 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -70.7 0.19 Allowed 'General case' 0 C--O 1.243 0.726 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -178.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.574 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -48.91 -48.28 42.69 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.317 0.58 . . . . 0.0 110.539 -179.298 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.833 ' CZ ' ' HB ' ' A' ' 44' ' ' THR . 8.5 m-85 -51.84 -44.35 63.55 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.805 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.497 ' HB2' ' CB ' ' A' ' 31' ' ' LYS . . . -45.37 -46.91 13.41 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.77 -48.88 70.32 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.047 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.656 ' CB ' ' HA ' ' A' ' 24' ' ' PHE . . . -41.04 -72.8 0.06 Allowed 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 121.422 0.63 . . . . 0.0 112.185 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.471 ' N ' HD12 ' A' ' 29' ' ' ILE . . . 146.12 35.39 0.06 OUTLIER Glycine 0 CA--C 1.523 0.557 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.303 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.746 HG22 ' H ' ' A' ' 30' ' ' ARG . 2.8 mp -125.61 178.24 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 123.569 0.747 . . . . 0.0 109.321 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.746 ' H ' HG22 ' A' ' 29' ' ' ILE . 5.9 mpt_? -69.34 124.6 24.29 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.045 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.684 ' HA ' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -124.76 124.22 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.092 -179.157 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.722 ' O ' HG11 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -148.12 177.62 9.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.665 0.745 . . . . 0.0 111.818 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 34' ' ' ASP . . . -129.65 85.53 2.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 177.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.635 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER 78.77 66.57 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -175.241 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.59 ' O ' ' HB ' ' A' ' 5' ' ' THR . 7.2 t0 -174.02 -123.34 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.216 -178.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 1.3 p -123.4 123.03 39.76 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.955 HG21 HG13 ' A' ' 21' ' ' VAL . 19.0 t -145.44 175.74 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 113.413 -1.721 . . . . 0.0 108.283 178.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.717 ' O ' HD21 ' A' ' 20' ' ' LEU . 88.6 p -96.15 124.15 40.04 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 121.632 -0.667 . . . . 0.0 109.88 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.406 ' HB2' HG12 ' A' ' 4' ' ' VAL . . . -87.83 154.92 20.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.409 ' CG ' ' NH2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 71.57 2.6 4.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.233 -178.696 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.6 ' CB ' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -70.28 -13.79 62.32 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.143 179.114 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.408 ' HG3' ' HA ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -33.41 -35.64 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.155 0.284 . . . . 0.0 111.72 178.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 41' ' ' GLU . 4.5 mm100 -44.88 -45.77 10.47 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.918 0.389 . . . . 0.0 110.655 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.833 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -70.18 -40.67 74.52 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.492 178.035 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.85 HD11 ' HB3' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -44.57 -49.36 10.17 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.273 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 1.3 tt -50.87 -46.15 29.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 175.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.585 ' CB ' ' O ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -49.05 -49.19 42.54 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.22 179.218 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.613 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 73.1 m80 -49.26 -49.48 43.19 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.131 0.491 . . . . 0.0 109.854 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 tp -52.25 -66.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.182 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.898 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.799 0.333 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -123.52 136.44 54.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.611 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -143.72 175.89 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.531 ' H ' HG12 ' A' ' 4' ' ' VAL . 1.3 p -84.69 124.8 31.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.183 0.516 . . . . 0.0 110.858 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.986 HD13 ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -52.55 146.31 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.839 179.465 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.986 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.6 OUTLIER 109.55 -74.42 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 125.003 1.439 . . . . 0.0 109.03 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.1 p -57.05 -45.34 83.28 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.012 HD21 ' HB2' ' A' ' 39' ' ' ALA . 9.8 tp -70.45 -46.35 64.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.351 176.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.839 ' HB1' ' CG ' ' A' ' 18' ' ' GLU . . . -46.52 -50.0 17.77 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.277 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.65 -48.78 71.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.621 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -30.62 -66.68 0.1 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.102 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 1.023 ' HB2' HG12 ' A' ' 17' ' ' VAL . 3.1 mpt_? -70.14 -49.43 50.71 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.59 0.709 . . . . 0.0 110.577 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 77.21 102.96 0.07 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.661 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 m 78.38 2.92 2.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.438 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.751 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -116.97 -95.53 0.48 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 119.211 -0.423 . . . . 0.0 111.047 179.667 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.023 HG12 ' HB2' ' A' ' 13' ' ' ARG . 4.0 p -49.38 -49.14 18.39 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 CA-C-O 118.235 -0.888 . . . . 0.0 113.157 -178.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.839 ' CG ' ' HB1' ' A' ' 10' ' ' ALA . 63.5 tt0 -48.39 -53.96 15.75 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 120.541 1.519 . . . . 0.0 108.793 177.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -50.33 -46.14 55.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.986 -1.461 . . . . 0.0 109.972 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.789 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 8.1 mt -56.23 -48.59 76.19 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.998 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.943 HG22 ' CG2' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -48.28 -48.09 13.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.197 -178.622 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -70.43 0.22 Allowed 'General case' 0 C--O 1.245 0.82 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.643 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 9.6 mm-40 -48.96 -48.87 42.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.488 0.661 . . . . 0.0 110.007 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.787 ' CZ ' ' HB ' ' A' ' 44' ' ' THR . 7.9 m-85 -51.34 -43.98 61.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.288 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.582 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -44.99 -46.52 11.19 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 105.188 -2.152 . . . . 0.0 105.188 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.67 -49.36 75.44 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.103 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.694 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -46.13 -71.97 0.06 Allowed 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.786 0.803 . . . . 0.0 111.624 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.719 ' H ' HD12 ' A' ' 29' ' ' ILE . . . 160.23 43.58 0.02 OUTLIER Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.824 HG22 ' H ' ' A' ' 30' ' ' ARG . 1.7 mp -140.61 -178.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 124.28 1.032 . . . . 0.0 109.341 -177.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.824 ' H ' HG22 ' A' ' 29' ' ' ILE . 1.0 OUTLIER -75.07 151.38 38.67 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 121.982 -0.449 . . . . 0.0 110.931 -177.322 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.683 ' C ' HG12 ' A' ' 21' ' ' VAL . 3.4 ttpt -86.6 163.29 17.52 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.603 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.626 ' CB ' ' HB ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -91.58 175.49 6.89 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.989 -178.245 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 97.69 46.31 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.948 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.719 ' H ' HD12 ' A' ' 6' ' ' ILE . 2.0 t0 60.64 108.89 0.02 OUTLIER 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.487 ' N ' HG22 ' A' ' 6' ' ' ILE . 4.0 m-20 160.39 -106.75 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.821 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.448 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 49.8 m -119.74 135.78 54.7 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 120.997 -1.064 . . . . 0.0 112.827 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.943 ' CG2' HG22 ' A' ' 21' ' ' VAL . 12.6 p -140.21 166.71 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.344 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.747 ' HB2' HG21 ' A' ' 29' ' ' ILE . 6.6 m -124.43 123.33 39.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.304 176.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.012 ' HB2' HD21 ' A' ' 9' ' ' LEU . . . -87.18 154.69 20.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.62 0.247 . . . . 0.0 110.551 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 75.28 9.47 3.78 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -77.94 -21.26 51.33 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.874 179.261 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.618 ' N ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -29.37 -36.11 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -55.39 -55.01 36.52 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.774 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.787 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -62.12 -41.67 98.47 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.63 ' HB2' HD22 ' A' ' 20' ' ' LEU . 1.5 tm? -45.09 -49.07 11.91 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.717 -0.614 . . . . 0.0 109.405 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.2 mm -49.96 -46.92 23.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 175.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 44' ' ' THR . 1.5 t70 -49.61 -51.03 40.33 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.574 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.694 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 73.1 m80 -49.68 -49.55 47.06 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.147 0.499 . . . . 0.0 109.951 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.48 -69.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.066 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.859 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.896 0.379 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.93 132.12 46.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.86 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.698 ' O ' ' O ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER -143.38 175.44 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.36 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.548 ' H ' HG12 ' A' ' 4' ' ' VAL . 58.4 p -85.41 124.14 31.66 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.825 0.821 . . . . 0.0 111.491 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 1.041 HD13 HG21 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -57.25 147.82 5.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 114.119 -1.4 . . . . 0.0 109.902 178.38 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.731 ' H ' HD12 ' A' ' 6' ' ' ILE . 1.7 tmtm? 97.64 -71.08 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.817 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -42.46 69.41 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.743 HD12 HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -70.7 -45.91 64.09 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 113.629 -1.623 . . . . 0.0 108.025 175.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.639 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . . . -46.46 -49.35 18.38 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.408 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.84 -48.86 72.84 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.729 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.538 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 17.0 mm-40 -36.41 -70.25 0.09 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.068 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.83 ' HB2' HG12 ' A' ' 17' ' ' VAL . 10.0 mmt180 -70.41 -48.9 53.94 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.609 0.719 . . . . 0.0 109.879 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 82.47 -45.04 0.15 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.762 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 t -116.66 6.97 13.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.157 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.513 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -122.41 -87.8 0.63 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.468 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.843 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.7 p -54.69 -48.34 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -178.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.46 ' HB2' ' CA ' ' A' ' 10' ' ' ALA . 28.6 tt0 -47.11 -54.52 10.28 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 121.364 1.893 . . . . 0.0 109.569 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -47.2 71.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.371 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.898 HD12 ' N ' ' A' ' 21' ' ' VAL . 0.2 OUTLIER -54.22 -48.48 71.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.872 -179.447 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.041 HG21 HD13 ' A' ' 6' ' ' ILE . 2.0 t -48.93 -48.79 16.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -67.81 0.4 Allowed 'General case' 0 C--O 1.245 0.824 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.668 ' CG ' HD13 ' A' ' 45' ' ' LEU . 61.6 mm-40 -48.51 -47.97 38.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.516 0.674 . . . . 0.0 109.35 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.728 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 8.2 m-85 -49.51 -44.43 46.21 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.766 179.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -44.99 -46.41 11.14 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 178.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -49.45 76.43 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.213 175.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 1.119 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -48.84 -76.81 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.555 0.693 . . . . 0.0 112.332 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.42 ' H ' ' H ' ' A' ' 29' ' ' ILE . . . 170.46 7.13 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.367 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.588 ' HB ' ' HB3' ' A' ' 24' ' ' PHE . 1.4 mp -97.53 -179.04 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 124.914 1.285 . . . . 0.0 107.939 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.58 ' H ' HG23 ' A' ' 29' ' ' ILE . 2.3 tpp85 -77.53 159.93 28.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 119.328 0.967 . . . . 0.0 111.278 -176.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.804 ' C ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -87.67 165.81 15.13 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -177.335 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.662 ' HA ' HG12 ' A' ' 6' ' ' ILE . 1.6 t -85.99 162.45 18.5 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 114.627 -1.17 . . . . 0.0 112.741 -178.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 98.57 46.61 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.46 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.505 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 1.2 t70 66.82 114.09 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.027 0.441 . . . . 0.0 111.202 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.611 ' N ' HG23 ' A' ' 6' ' ' ILE . 7.5 t0 178.31 -144.8 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.332 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 8.1 t -128.24 91.38 3.24 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.391 -0.818 . . . . 0.0 111.253 177.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.992 HG21 HG13 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -108.69 176.86 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -178.218 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.55 ' H ' HG22 ' A' ' 37' ' ' VAL . 4.5 m -103.78 124.08 48.24 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.776 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.479 ' HB2' ' HG ' ' A' ' 9' ' ' LEU . . . -84.69 156.06 21.65 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.699 0.285 . . . . 0.0 110.542 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 74.82 0.08 3.46 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.619 ' HB2' HD22 ' A' ' 20' ' ' LEU . 10.0 mm-40 -73.75 -18.07 61.02 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.435 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.427 ' HA ' HD23 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -32.46 -35.55 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 179.334 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -49.84 -52.92 28.84 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 179.723 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.626 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -70.14 -41.35 74.01 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.056 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.699 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 0.1 OUTLIER -45.83 -48.89 15.74 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -179.683 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.469 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 66.3 mt -54.98 -45.73 76.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 175.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 44' ' ' THR . 3.8 t70 -48.44 -70.19 0.1 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.621 -1.172 . . . . 0.0 113.014 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 1.119 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 13.7 p-80 -65.85 -48.35 71.87 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.805 HD23 ' N ' ' A' ' 50' ' ' ASN . 4.8 tt -49.25 -70.15 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.702 0.287 . . . . 0.0 111.37 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.805 ' N ' HD23 ' A' ' 49' ' ' LEU . 1.8 t30 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.733 0.302 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.07 127.91 36.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.021 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.547 ' HB ' HD12 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -143.57 175.82 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.468 ' H ' HG12 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -88.22 124.51 33.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.379 0.609 . . . . 0.0 110.936 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.944 HD13 ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -53.36 151.73 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.713 179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.944 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER 97.3 -64.25 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.636 1.21 . . . . 0.0 108.465 -178.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 m -61.21 -46.42 90.53 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.995 HD11 ' HB2' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -70.75 -46.87 62.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.134 -1.394 . . . . 0.0 108.267 176.131 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.804 ' HB1' ' CG ' ' A' ' 18' ' ' GLU . . . -46.74 -49.66 19.27 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.538 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' GLU . . . -59.09 -48.69 80.68 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.151 177.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 11' ' ' ALA . 0.1 OUTLIER -33.71 -71.55 0.06 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.825 179.435 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.878 ' HB2' HG12 ' A' ' 17' ' ' VAL . 13.2 mmp_? -70.44 -48.59 55.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.656 0.741 . . . . 0.0 109.666 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.421 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 84.23 -48.59 0.11 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.794 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 p -114.46 15.77 17.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.835 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.439 ' HB2' ' CG ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -131.91 -89.22 0.44 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.908 ' HA ' HD23 ' A' ' 20' ' ' LEU . 2.8 p -51.18 -49.82 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -177.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.804 ' CG ' ' HB1' ' A' ' 10' ' ' ALA . 33.7 tt0 -48.17 -54.72 12.41 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 121.364 1.893 . . . . 0.0 109.836 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -45.42 78.7 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.182 177.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.908 HD23 ' HA ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -53.31 -48.46 68.4 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 113.978 -1.464 . . . . 0.0 111.84 -178.361 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.906 HG22 HG23 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -54.86 -48.94 73.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.462 -179.198 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.444 ' CG ' ' HB2' ' A' ' 32' ' ' SER . 33.7 mt-30 -56.4 -68.85 0.18 Allowed 'General case' 0 C--O 1.242 0.709 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.539 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 33.0 mm-40 -48.81 -49.43 39.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.09 0.471 . . . . 0.0 110.205 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.744 ' HE2' ' O ' ' A' ' 41' ' ' GLU . 6.7 m-85 -52.81 -44.34 66.59 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -45.18 -46.97 12.43 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -62.29 -48.84 78.12 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 114.768 -1.105 . . . . 0.0 108.878 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.994 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -54.16 -77.4 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.566 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.88 ' O ' HD13 ' A' ' 29' ' ' ILE . . . 171.44 45.41 0.04 OUTLIER Glycine 0 C--N 1.338 0.692 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.324 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.88 HD13 ' O ' ' A' ' 28' ' ' GLY . 1.9 mm -142.19 -178.14 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 123.75 0.82 . . . . 0.0 109.676 -178.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.709 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -74.37 147.46 42.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -178.132 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG2' ' HB1' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -87.54 167.25 14.11 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -176.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.603 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -92.66 175.96 6.63 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 114.433 -1.258 . . . . 0.0 112.277 -178.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.666 ' H ' HD12 ' A' ' 6' ' ' ILE . . . 96.4 43.13 0.0 OUTLIER 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.765 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.634 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 6.1 t70 61.35 105.04 0.02 OUTLIER 'General case' 0 C--O 1.231 0.096 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.356 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.589 ' N ' HG22 ' A' ' 6' ' ' ILE . 34.8 t70 166.71 -109.08 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.558 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.447 ' HB2' ' HG2' ' A' ' 30' ' ' ARG . 2.0 p -118.56 136.92 53.58 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.061 -1.024 . . . . 0.0 112.036 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.906 HG23 HG22 ' A' ' 21' ' ' VAL . 11.2 p -139.41 166.76 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.513 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.884 ' O ' HD21 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -123.6 123.26 40.19 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.608 176.512 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.995 ' HB2' HD11 ' A' ' 9' ' ' LEU . . . -80.56 146.65 31.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.902 0.382 . . . . 0.0 111.208 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.58 2.89 4.46 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.784 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.822 ' HB3' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -77.99 -5.59 51.77 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.331 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.529 ' N ' HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -32.73 -25.62 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 179.148 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.587 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -47.75 -13.67 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.538 0.208 . . . . 0.0 111.348 178.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.576 ' OG1' ' CE1' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -47.1 -48.66 22.82 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.618 0.246 . . . . 0.0 111.036 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.754 ' O ' HD13 ' A' ' 49' ' ' LEU . 47.9 mt -49.35 -49.94 42.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.401 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 31.2 mt -70.33 -61.37 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.83 -64.33 0.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.994 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 50.6 m80 -49.71 -49.48 47.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.966 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.754 HD13 ' O ' ' A' ' 45' ' ' LEU . 6.2 mp -53.34 -69.89 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m120 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.874 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.855 0.36 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.8 135.08 42.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.68 ' CG1' HD23 ' A' ' 9' ' ' LEU . 2.9 t -140.44 167.91 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.0 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.515 ' H ' HG12 ' A' ' 4' ' ' VAL . 40.0 p -73.13 124.24 25.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.558 0.694 . . . . 0.0 111.448 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.957 HD13 HG21 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -51.22 149.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.656 178.465 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.695 ' H ' HD12 ' A' ' 6' ' ' ILE . 0.4 OUTLIER 97.89 -77.27 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.958 -1.474 . . . . 0.0 109.957 179.376 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -47.94 -44.26 29.97 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 106.511 -1.662 . . . . 0.0 106.511 177.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.759 ' HB3' HG21 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -71.42 -46.93 58.91 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 113.602 -1.636 . . . . 0.0 108.757 175.82 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.789 ' HB2' HD12 ' A' ' 6' ' ' ILE . . . -46.82 -54.83 9.01 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.061 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' GLU . . . -59.09 -48.46 81.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' ALA . 9.9 tp10 -30.24 -71.54 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.918 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.667 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -70.51 -49.34 49.35 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.781 179.506 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.422 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 84.79 -28.32 0.09 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.751 -179.473 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.3 p -132.86 8.73 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.011 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.526 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -127.94 -89.27 0.53 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.102 179.746 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.921 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -49.56 -51.15 15.8 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.3 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' N ' ' HA ' ' A' ' 10' ' ' ALA . 4.4 tt0 -48.35 -50.08 31.83 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 121.176 1.807 . . . . 0.0 109.23 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -58.87 -46.51 87.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.966 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.921 HD23 ' HA ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -49.32 -48.54 46.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.985 -1.461 . . . . 0.0 110.442 -179.574 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.989 HG13 HG21 ' A' ' 37' ' ' VAL . 2.5 t -54.13 -50.95 51.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.803 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -61.15 -70.22 0.2 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.58 ' O ' ' NE2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -49.72 -49.57 47.34 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.489 -179.024 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.696 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 9.4 m-85 -56.56 -45.28 81.36 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -178.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.818 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -45.61 -47.17 14.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.29 -48.98 71.27 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.474 176.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.922 ' HB2' ' NE2' ' A' ' 48' ' ' HIS . . . -44.39 -72.75 0.05 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.739 0.781 . . . . 0.0 112.086 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 170.76 40.96 0.03 OUTLIER Glycine 0 C--N 1.333 0.404 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.782 HG22 ' H ' ' A' ' 30' ' ' ARG . 1.1 mt -136.28 -175.61 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 113.615 -1.293 . . . . 0.0 108.776 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.782 ' H ' HG22 ' A' ' 29' ' ' ILE . 1.4 mtt-85 -82.03 171.1 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.014 -0.674 . . . . 0.0 111.57 -176.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.818 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 7.4 mptt -87.97 166.6 14.38 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -176.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.713 ' HA ' HG12 ' A' ' 6' ' ' ILE . 27.5 p -100.64 176.04 5.45 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 114.079 -1.419 . . . . 0.0 113.083 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 91.74 55.17 0.0 OUTLIER 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.615 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 0.4 OUTLIER 58.26 102.87 0.02 OUTLIER 'General case' 0 CA--C 1.527 0.094 0 CA-C-O 120.906 0.384 . . . . 0.0 110.693 -179.8 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.661 ' N ' HG23 ' A' ' 6' ' ' ILE . 5.3 t70 175.86 -141.09 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.608 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 6.0 p -120.51 118.4 30.15 Favored 'General case' 0 C--O 1.223 -0.309 0 O-C-N 121.523 -0.735 . . . . 0.0 111.141 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.989 HG21 HG13 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -145.42 179.4 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.474 -178.342 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.68 ' O ' HD21 ' A' ' 20' ' ' LEU . 5.0 t -83.02 157.71 22.8 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.399 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.608 ' HA ' HD21 ' A' ' 20' ' ' LEU . . . -121.8 144.56 48.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 66.59 6.33 4.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.88 0.371 . . . . 0.0 110.421 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.92 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.2 OUTLIER -55.64 -22.85 24.73 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.364 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.0 OUTLIER 11.61 -48.63 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 178.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.92 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -39.98 -19.79 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.757 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.556 ' HB ' ' CE2' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -48.2 -49.22 33.71 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.861 0.362 . . . . 0.0 110.92 179.549 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' N ' ' CG2' ' A' ' 44' ' ' THR . 1.3 mt -51.5 -53.97 31.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.732 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.534 ' H ' HD12 ' A' ' 46' ' ' ILE . 3.4 mp -70.25 -57.15 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.74 -68.1 0.2 Allowed 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.922 ' NE2' ' HB2' ' A' ' 27' ' ' ALA . 66.9 m80 -49.84 -49.63 48.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.374 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 49' ' ' LEU . 15.0 mt -50.32 -70.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.149 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 m120 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.163 -0.923 . . . . 0.0 111.024 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.735 0.302 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -125.8 131.99 52.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.795 ' HB ' HD22 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -143.66 175.62 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 179.603 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.556 ' H ' HG12 ' A' ' 4' ' ' VAL . 0.7 OUTLIER -85.83 124.75 32.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.501 0.667 . . . . 0.0 111.207 -179.639 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.947 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 6.0 tp -56.8 155.28 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.337 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.579 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER 96.01 -71.47 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 124.928 1.393 . . . . 0.0 108.634 -179.189 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -43.02 76.32 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 176.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.863 HD21 ' HB2' ' A' ' 39' ' ' ALA . 6.0 tp -71.05 -47.03 60.81 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 113.962 -1.472 . . . . 0.0 108.589 176.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.83 ' HB1' ' CG ' ' A' ' 18' ' ' GLU . . . -46.92 -49.61 20.22 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.644 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.52 81.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.992 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' OE2' HD12 ' A' ' 9' ' ' LEU . 4.0 tt0 -34.46 -72.52 0.05 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.643 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.862 ' HB2' HG12 ' A' ' 17' ' ' VAL . 1.9 mmm180 -70.8 -48.54 53.62 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.709 0.766 . . . . 0.0 109.511 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 81.3 -52.52 0.29 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.316 -1.311 . . . . 0.0 110.538 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.6 t -106.21 11.33 31.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.851 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -129.76 -91.0 0.46 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.619 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.863 ' HA ' HD23 ' A' ' 20' ' ' LEU . 3.9 p -49.88 -49.76 20.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.83 ' CG ' ' HB1' ' A' ' 10' ' ' ALA . 1.2 tt0 -48.83 -49.66 38.12 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 121.838 2.108 . . . . 0.0 110.183 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -60.41 -45.31 94.04 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 122.128 0.966 . . . . 0.0 110.232 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.863 HD23 ' HA ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -55.27 -49.18 72.74 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 113.588 -1.642 . . . . 0.0 112.171 -177.807 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.819 ' HB ' HG23 ' A' ' 37' ' ' VAL . 6.7 p -54.91 -47.91 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.43 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.413 ' N ' HG13 ' A' ' 21' ' ' VAL . 34.2 mt-30 -54.29 -69.73 0.12 Allowed 'General case' 0 C--O 1.244 0.776 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.251 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.486 ' O ' ' NE2' ' A' ' 48' ' ' HIS . 1.2 mp0 -49.81 -49.52 48.5 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.653 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.696 ' HE2' ' O ' ' A' ' 41' ' ' GLU . 9.6 m-85 -53.13 -45.38 68.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.751 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -45.95 -46.97 16.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 177.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -48.87 75.09 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.182 175.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.953 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -48.23 -74.57 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 121.631 0.729 . . . . 0.0 111.521 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.878 ' O ' HD13 ' A' ' 29' ' ' ILE . . . 168.13 46.84 0.03 OUTLIER Glycine 0 C--N 1.336 0.529 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.878 HD13 ' O ' ' A' ' 28' ' ' GLY . 2.1 mm -140.46 -176.7 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.174 -1.013 . . . . 0.0 109.974 -177.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.72 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -75.51 152.5 37.82 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.516 -177.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.751 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -84.33 162.24 20.13 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -176.399 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.715 ' HB3' HG13 ' A' ' 21' ' ' VAL . 8.1 p -91.66 175.44 6.9 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 114.046 -1.433 . . . . 0.0 113.971 -177.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 89.16 55.08 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 114.066 -1.424 . . . . 0.0 110.752 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.579 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 1.4 t70 58.53 97.73 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.065 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.51 ' N ' HG22 ' A' ' 6' ' ' ILE . 61.6 t0 173.24 -113.26 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.373 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.448 ' HB3' ' HG2' ' A' ' 30' ' ' ARG . 50.6 m -120.24 137.23 54.34 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.163 -0.961 . . . . 0.0 112.026 177.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.947 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 11.6 p -141.49 170.64 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.036 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.842 ' O ' HD21 ' A' ' 20' ' ' LEU . 2.3 t -118.08 123.76 46.41 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 176.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.863 ' HB2' HD21 ' A' ' 9' ' ' LEU . . . -79.68 144.26 33.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.93 0.395 . . . . 0.0 111.445 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.88 5.87 5.26 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.013 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.697 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.4 OUTLIER -75.79 -7.98 55.75 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.449 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' THR . 23.4 pttt -24.73 -30.53 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 178.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.697 ' N ' ' O ' ' A' ' 41' ' ' GLU . 94.8 mm-40 -44.28 -16.86 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 178.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.574 ' OG1' ' CE1' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -46.88 -48.4 21.13 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.601 0.239 . . . . 0.0 110.904 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' N ' ' CG2' ' A' ' 44' ' ' THR . 22.9 mt -49.17 -49.63 41.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.653 0.263 . . . . 0.0 111.241 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 mt -69.95 -56.4 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -54.66 -68.8 0.16 Allowed 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.953 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 66.5 m80 -49.48 -49.85 43.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.606 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 6.9 tt -56.66 -70.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.75 0.31 . . . . 0.0 111.271 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m120 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.952 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.728 0.299 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -122.78 134.91 54.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.955 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.798 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -143.53 175.68 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.715 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.545 ' H ' HG12 ' A' ' 4' ' ' VAL . 0.6 OUTLIER -82.68 125.04 30.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.55 0.691 . . . . 0.0 111.05 -179.698 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.883 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -56.05 151.72 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.138 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.608 ' HB2' ' HA ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER 103.12 -73.38 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 O-C-N 124.993 1.433 . . . . 0.0 108.917 -179.326 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -58.11 -44.09 87.52 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.06 HD21 ' HB2' ' A' ' 39' ' ' ALA . 12.7 tp -70.48 -46.08 64.46 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.08 -1.418 . . . . 0.0 108.353 176.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.85 ' HB1' ' CG ' ' A' ' 18' ' ' GLU . . . -45.95 -49.85 15.37 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.013 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' GLU . . . -67.24 -48.51 67.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.318 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 7.9 tm-20 -27.04 -67.61 0.06 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.492 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.627 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -70.12 -48.98 55.22 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.7 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 3.7 tp60 81.72 113.88 0.06 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.869 -1.059 . . . . 0.0 109.688 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.3 m 63.01 17.87 10.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.654 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -130.17 -99.76 0.32 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.736 -179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.821 ' HA ' HD12 ' A' ' 20' ' ' LEU . 4.4 p -49.21 -48.38 17.86 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-O 117.946 -1.026 . . . . 0.0 113.051 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.998 ' O ' HG12 ' A' ' 21' ' ' VAL . 52.5 tt0 -48.04 -49.85 29.86 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 121.036 1.744 . . . . 0.0 108.447 177.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -56.02 -45.84 78.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.726 177.292 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 17' ' ' VAL . 46.0 mt -53.53 -52.06 60.86 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.22 -1.354 . . . . 0.0 111.629 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.998 HG12 ' O ' ' A' ' 18' ' ' GLU . 9.6 p -49.23 -46.96 18.67 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.45 -70.4 0.19 Allowed 'General case' 0 C--O 1.242 0.681 0 C-N-CA 119.848 -0.741 . . . . 0.0 112.681 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 5.3 mt-30 -49.3 -54.48 16.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.991 0.425 . . . . 0.0 110.472 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.699 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . 4.7 m-85 -49.79 -44.72 49.17 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.833 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -45.4 -47.15 13.63 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -48.79 75.51 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.995 175.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.931 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -49.5 -75.12 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.38 0.61 . . . . 0.0 111.576 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.909 ' O ' HD13 ' A' ' 29' ' ' ILE . . . 172.35 44.48 0.04 OUTLIER Glycine 0 C--N 1.335 0.482 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.909 HD13 ' O ' ' A' ' 28' ' ' GLY . 2.6 mm -139.14 -176.37 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 124.258 1.023 . . . . 0.0 109.962 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.769 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -75.83 154.64 36.03 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.718 0.294 . . . . 0.0 110.872 -177.359 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.833 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -85.61 164.86 17.47 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -176.794 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.846 ' HB3' HG13 ' A' ' 21' ' ' VAL . 4.3 p -90.27 175.13 7.24 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 114.246 -1.343 . . . . 0.0 114.482 -177.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 91.04 48.4 0.0 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.906 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.608 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 4.4 t70 59.85 109.09 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.183 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.638 ' N ' HG22 ' A' ' 6' ' ' ILE . 28.8 t70 163.09 -105.46 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.562 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 30' ' ' ARG . 72.8 m -120.24 135.85 54.85 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.16 -0.962 . . . . 0.0 112.284 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.883 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 12.5 p -142.23 171.66 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.041 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.699 ' N ' HG22 ' A' ' 37' ' ' VAL . 42.9 t -123.66 123.31 40.26 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 176.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.06 ' HB2' HD21 ' A' ' 9' ' ' LEU . . . -82.52 150.14 27.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.978 0.418 . . . . 0.0 111.277 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 63.54 14.62 8.19 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.722 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.873 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -64.55 -18.65 65.04 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 177.196 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.775 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER 9.12 -53.83 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 O-C-N 124.298 0.999 . . . . 0.0 113.655 178.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.873 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -37.88 -23.28 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.8 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.572 HG21 ' HA ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -48.46 -49.65 34.63 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.108 -179.58 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' N ' HG22 ' A' ' 44' ' ' THR . 56.7 mt -53.07 -56.3 17.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.694 0.283 . . . . 0.0 111.675 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 47' ' ' ASP . 2.9 tp -70.2 -49.73 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.47 ' N ' HG23 ' A' ' 46' ' ' ILE . 3.1 t0 -57.14 -70.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.931 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 70.4 m80 -50.23 -51.01 47.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.779 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.98 -70.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.426 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.887 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.864 0.364 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.37 124.92 38.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.56 HG12 ' H ' ' A' ' 5' ' ' THR . 1.5 t -143.18 175.08 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.56 ' H ' HG12 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -90.02 124.15 34.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.504 0.668 . . . . 0.0 110.606 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.788 ' HB ' ' HB ' ' A' ' 37' ' ' VAL . 10.4 tp -66.27 156.01 6.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.203 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.594 ' H ' ' HB2' ' A' ' 10' ' ' ALA . 0.3 OUTLIER 96.84 -79.34 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 113.966 -1.47 . . . . 0.0 109.414 -179.13 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.4 p -52.44 -44.58 65.58 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.643 ' CD1' HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -70.86 -46.03 63.39 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 113.754 -1.566 . . . . 0.0 108.244 175.727 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.594 ' HB2' ' H ' ' A' ' 7' ' ' LYS . . . -46.07 -49.57 16.25 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.723 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.61 -48.73 71.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.106 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.585 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 16.0 mm-40 -31.92 -57.99 0.29 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.831 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.791 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -68.44 -48.88 63.42 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.131 179.278 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.443 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER 86.49 -32.01 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.176 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.6 p -138.86 17.32 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.808 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.584 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -129.6 -88.31 0.51 Allowed 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.598 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.861 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.0 p -53.8 -51.2 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.995 ' O ' HG12 ' A' ' 21' ' ' VAL . 1.3 tt0 -48.61 -54.46 14.52 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 121.524 1.965 . . . . 0.0 108.563 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.553 ' CG ' HD11 ' A' ' 45' ' ' LEU . 2.9 tpp180 -51.49 -46.12 63.06 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.049 -1.432 . . . . 0.0 109.192 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.861 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -54.19 -49.04 70.26 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 114.288 -1.324 . . . . 0.0 111.607 -179.498 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.995 HG12 ' O ' ' A' ' 18' ' ' GLU . 10.5 p -49.69 -47.33 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 119.162 0.892 . . . . 0.0 111.492 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 5.5 pt20 -63.04 -70.28 0.22 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.523 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 21.8 mm-40 -49.4 -48.85 46.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.573 0.702 . . . . 0.0 110.484 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.749 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 10.7 m-85 -52.68 -44.49 66.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.623 -1.171 . . . . 0.0 112.818 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . . . -45.53 -46.71 14.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 177.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -62.19 -48.92 77.9 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.593 -1.185 . . . . 0.0 108.853 174.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.617 ' CB ' ' HA ' ' A' ' 24' ' ' PHE . . . -41.02 -77.07 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.998 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.37 10.95 0.06 OUTLIER Glycine 0 CA--C 1.529 0.91 0 CA-C-N 115.747 -0.661 . . . . 0.0 113.099 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.596 ' CG1' ' HB3' ' A' ' 24' ' ' PHE . 5.0 pt -102.46 179.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 C-N-CA 123.015 0.526 . . . . 0.0 110.269 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.654 ' O ' HG13 ' A' ' 37' ' ' VAL . 1.5 mtt85 -69.44 123.8 22.22 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.188 -178.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.761 ' HA ' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -125.72 123.26 38.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.466 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.653 ' O ' HG21 ' A' ' 21' ' ' VAL . 1.1 m -148.74 177.31 9.63 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.453 0.644 . . . . 0.0 111.542 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.59 90.94 3.44 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.569 ' HA ' ' CB ' ' A' ' 7' ' ' LYS . 10.8 t70 69.29 67.29 0.26 Allowed 'General case' 0 C--O 1.231 0.124 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -176.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.588 ' HB3' ' CB ' ' A' ' 32' ' ' SER . 49.6 t0 -168.62 -113.56 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.683 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.95 121.18 29.23 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.788 ' HB ' ' HB ' ' A' ' 6' ' ' ILE . 54.8 t -145.24 175.59 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 113.92 -1.491 . . . . 0.0 108.986 178.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.643 ' O ' HD21 ' A' ' 20' ' ' LEU . 8.4 t -99.52 123.64 43.98 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.443 ' HB1' HD11 ' A' ' 9' ' ' LEU . . . -86.87 154.62 20.72 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 72.25 5.25 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.394 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.536 ' CB ' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -71.69 -17.7 62.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.281 179.277 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.39 -36.74 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' GLU . 60.1 mt-30 -45.67 -44.88 13.75 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.129 0.49 . . . . 0.0 110.657 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.732 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -67.2 -40.69 86.53 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.337 178.429 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.553 HD11 ' CG ' ' A' ' 19' ' ' ARG . 1.1 tt -44.62 -48.86 10.47 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.7 mt -49.81 -46.74 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 175.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' A' ' 44' ' ' THR . 3.5 t0 -49.07 -49.18 42.84 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.15 -1.386 . . . . 0.0 111.274 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.544 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 70.1 m80 -48.9 -49.47 39.7 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.152 0.501 . . . . 0.0 109.801 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 tp -51.46 -70.0 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.274 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.828 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.92 0.39 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -120.12 126.88 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.47 ' HB ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -143.7 176.13 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.474 ' C ' HG12 ' A' ' 37' ' ' VAL . 1.1 p -87.24 124.52 33.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.148 0.499 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.958 HD13 ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -51.72 150.82 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.287 179.716 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.958 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.3 OUTLIER 97.6 -64.4 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 O-C-N 125.144 1.528 . . . . 0.0 108.502 -179.244 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.1 m -58.44 -45.98 87.46 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.858 HD11 ' HB2' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -71.04 -46.53 61.89 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.321 175.738 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.747 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . . . -46.53 -49.6 18.37 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.868 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -48.49 80.33 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -31.48 -70.29 0.07 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.704 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.84 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -70.24 -49.2 52.41 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.581 179.409 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 7.8 tp60 85.84 -32.14 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.905 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 m -132.76 11.49 4.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.961 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.575 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -129.62 -88.29 0.51 Allowed 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.885 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.7 p -49.89 -49.41 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.536 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 2.1 tt0 -48.55 -60.25 2.85 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 121.053 1.751 . . . . 0.0 109.651 178.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -46.25 56.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.445 -1.252 . . . . 0.0 110.826 178.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.885 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -56.0 -48.9 75.05 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.59 -1.187 . . . . 0.0 111.01 -178.643 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.03 HG22 HG23 ' A' ' 37' ' ' VAL . 0.8 OUTLIER -49.56 -48.83 19.88 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 O-C-N 121.953 -0.467 . . . . 0.0 111.984 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.414 ' HG3' ' CB ' ' A' ' 32' ' ' SER . 19.2 mt-30 -60.91 -70.5 0.18 Allowed 'General case' 0 C--O 1.246 0.874 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.538 ' HB2' HD23 ' A' ' 45' ' ' LEU . 0.7 OUTLIER -48.69 -47.45 40.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.917 0.865 . . . . 0.0 109.79 -179.463 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.878 ' CZ ' ' HB ' ' A' ' 44' ' ' THR . 2.3 m-85 -51.16 -44.04 61.39 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.135 -1.393 . . . . 0.0 111.76 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB1' ' HG3' ' A' ' 31' ' ' LYS . . . -45.17 -46.83 12.31 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 177.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.38 -49.2 72.54 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.079 175.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.624 ' CB ' ' HA ' ' A' ' 24' ' ' PHE . . . -44.97 -71.43 0.08 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.755 0.788 . . . . 0.0 111.681 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.9 ' O ' HD13 ' A' ' 29' ' ' ILE . . . 156.87 43.74 0.02 OUTLIER Glycine 0 C--N 1.33 0.21 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 -178.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.9 HD13 ' O ' ' A' ' 28' ' ' GLY . 1.8 mm -136.71 -176.65 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 113.796 -1.202 . . . . 0.0 109.916 -176.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.662 ' H ' HG22 ' A' ' 29' ' ' ILE . 20.8 mmt180 -73.91 149.21 41.6 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.949 -0.301 . . . . 0.0 110.717 -177.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.636 ' C ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -81.91 159.16 23.71 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.43 1.081 . . . . 0.0 113.839 -177.323 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.61 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -92.53 176.18 6.55 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.289 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.639 ' H ' HD12 ' A' ' 6' ' ' ILE . . . 92.16 47.25 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.788 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.559 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 10.2 t0 60.05 103.98 0.02 OUTLIER 'General case' 0 C--O 1.23 0.064 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.038 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.536 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 60.8 t0 168.55 -109.71 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.639 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.409 ' CB ' ' HB3' ' A' ' 30' ' ' ARG . 2.2 p -117.44 137.09 52.74 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 120.928 -1.107 . . . . 0.0 112.241 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.03 HG23 HG22 ' A' ' 21' ' ' VAL . 7.9 p -139.2 165.2 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.166 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.762 ' O ' HD21 ' A' ' 20' ' ' LEU . 30.5 t -123.51 122.84 39.25 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.858 ' HB2' HD11 ' A' ' 9' ' ' LEU . . . -83.81 153.91 23.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.722 0.296 . . . . 0.0 110.741 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.22 15.84 9.36 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.596 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 1.1 mm-40 -96.99 -21.48 17.39 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.451 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.471 ' N ' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -36.67 -32.5 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.139 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -46.52 -51.16 16.02 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 111.126 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.878 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -56.89 -40.77 76.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.974 178.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.546 ' C ' HD13 ' A' ' 45' ' ' LEU . 3.4 tm? -44.89 -48.99 11.21 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -178.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 53.9 mt -49.82 -46.99 22.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 44' ' ' THR . 4.3 t0 -49.82 -51.97 35.78 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.597 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 71.9 m80 -49.69 -49.68 46.68 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 121.084 0.469 . . . . 0.0 109.868 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.07 -69.86 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.157 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.812 0.339 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -84.6 127.78 34.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.594 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -144.09 175.82 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.141 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.581 ' H ' HG12 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -72.85 124.56 25.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.954 0.883 . . . . 0.0 112.736 -178.528 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.875 HD12 ' HB2' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -56.46 154.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 113.763 -1.562 . . . . 0.0 110.735 178.018 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.739 ' H ' HD12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER 94.16 -79.06 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 113.918 -1.492 . . . . 0.0 110.846 178.664 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.04 -51.87 28.66 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.594 HD22 ' HB ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -71.27 -45.82 62.31 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.24 -1.346 . . . . 0.0 109.71 176.564 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.875 ' HB2' HD12 ' A' ' 6' ' ' ILE . . . -46.03 -59.92 2.57 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.15 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.62 80.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.687 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -26.75 -58.6 0.09 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.981 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.786 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -67.6 -49.05 64.97 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.454 0.645 . . . . 0.0 111.015 -179.635 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 15' ' ' THR . 23.2 tt0 82.27 91.89 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.593 -178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 14' ' ' GLN . 2.0 m 85.58 -1.19 0.78 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.913 -178.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.602 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -108.4 -95.4 0.39 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 119.103 -0.475 . . . . 0.0 111.21 179.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.816 ' HA ' ' CD1' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -52.96 -49.19 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -178.503 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 1.141 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.5 tt0 -48.79 -50.16 35.42 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 120.375 1.443 . . . . 0.0 110.209 178.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -49.18 -45.7 44.47 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.256 1.027 . . . . 0.0 109.602 178.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.816 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -61.99 -47.12 86.21 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.416 -1.72 . . . . 0.0 111.746 -179.736 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.141 HG22 ' O ' ' A' ' 18' ' ' GLU . 19.2 m -47.39 -46.49 10.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 122.143 -0.348 . . . . 0.0 111.655 -177.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -68.19 -64.76 0.8 Allowed 'General case' 0 C--O 1.241 0.612 0 C-N-CA 120.195 -0.602 . . . . 0.0 112.39 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.487 ' C ' ' NE2' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -49.44 -55.83 11.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.054 0.454 . . . . 0.0 111.246 -179.24 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.715 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . 5.2 m-85 -50.52 -45.37 56.59 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.751 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -45.39 -47.18 13.54 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -64.36 -49.04 73.23 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.517 175.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.764 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -40.52 -72.99 0.05 Allowed 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.84 0.829 . . . . 0.0 112.246 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.835 ' C ' HD12 ' A' ' 29' ' ' ILE . . . 162.51 36.65 0.02 OUTLIER Glycine 0 CA--C 1.521 0.431 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.835 HD12 ' C ' ' A' ' 28' ' ' GLY . 1.8 mp -124.63 -178.91 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 125.427 1.491 . . . . 0.0 107.993 -177.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.601 ' HB2' ' HA ' ' A' ' 37' ' ' VAL . 12.5 mtt180 -77.94 159.01 29.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.815 0.734 . . . . 0.0 109.17 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.751 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -84.3 163.49 19.59 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -174.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.652 ' HB3' HG23 ' A' ' 21' ' ' VAL . 92.1 p -91.86 176.17 6.62 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 112.919 -1.946 . . . . 0.0 113.363 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 94.81 54.96 0.0 OUTLIER 'General case' 0 C--N 1.339 0.141 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.991 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.492 ' H ' HG13 ' A' ' 6' ' ' ILE . 13.9 t70 51.49 96.83 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.67 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.534 ' H ' HG23 ' A' ' 6' ' ' ILE . 27.9 t0 175.43 -120.51 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.368 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 36.4 m -122.26 124.2 43.22 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.284 -0.885 . . . . 0.0 111.545 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.961 HG11 HG12 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -146.33 178.58 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.817 -178.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.577 ' H ' HG22 ' A' ' 37' ' ' VAL . 12.0 t -107.15 123.67 48.59 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.517 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . . . -89.9 160.82 16.24 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.731 0.3 . . . . 0.0 110.248 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 53.33 19.44 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.007 0.432 . . . . 0.0 110.165 -178.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.87 ' O ' ' N ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -61.04 -21.06 63.27 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.009 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.636 ' N ' HD13 ' A' ' 20' ' ' LEU . 5.0 mttt 29.74 -60.43 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.276 0.985 . . . . 0.0 113.644 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.87 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -39.22 -19.02 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -179.508 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.639 HG21 ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -47.89 -49.22 30.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.714 0.292 . . . . 0.0 111.275 -179.672 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.482 ' N ' ' CG2' ' A' ' 44' ' ' THR . 74.7 mt -62.53 -55.61 25.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.878 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.514 HG23 ' N ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -64.7 -49.67 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.514 ' N ' HG23 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -59.33 -69.71 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.833 -179.12 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.764 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 69.9 m80 -49.87 -50.02 47.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.74 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.489 HD23 ' OD1' ' A' ' 50' ' ' ASN . 0.8 OUTLIER -53.95 -68.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 111.154 -179.705 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.489 ' OD1' HD23 ' A' ' 49' ' ' LEU . 24.3 m-20 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.842 0.354 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 38' ' ' SER . 1.2 m-20 -93.22 124.52 37.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.543 HG22 ' H ' ' A' ' 5' ' ' THR . 9.7 p -141.74 170.6 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.05 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.59 ' HB ' ' O ' ' A' ' 35' ' ' ASP . 18.4 p -73.29 124.52 25.86 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.146 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.678 ' CG2' ' HB ' ' A' ' 37' ' ' VAL . 1.9 pp -91.36 -178.14 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.716 ' H ' ' HB2' ' A' ' 10' ' ' ALA . 0.3 OUTLIER 99.84 -77.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 113.225 -1.807 . . . . 0.0 107.947 -178.067 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.3 p -62.77 -39.95 95.77 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -70.63 -44.14 67.82 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 113.023 -1.899 . . . . 0.0 108.391 175.556 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.786 ' HB1' ' HA ' ' A' ' 18' ' ' GLU . . . -44.95 -50.12 10.73 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.708 -178.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.78 -48.42 69.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.251 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.477 ' HB3' HD13 ' A' ' 9' ' ' LEU . 17.5 tt0 -28.11 -58.85 0.12 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.938 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.967 ' HB2' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -64.36 -48.26 76.18 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.806 -179.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.424 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 3.3 tt0 82.44 107.34 0.06 Allowed 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.987 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 m 66.84 13.95 9.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.349 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.508 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -125.37 -95.88 0.45 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.744 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.967 HG12 ' HB2' ' A' ' 13' ' ' ARG . 3.4 p -53.02 -49.06 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.786 ' HA ' ' HB1' ' A' ' 10' ' ' ALA . 17.4 tt0 -49.22 -60.28 2.94 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 120.809 1.641 . . . . 0.0 109.344 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.85 ' HB3' HD11 ' A' ' 45' ' ' LEU . 4.6 mmt-85 -50.97 -46.43 61.27 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.265 -1.334 . . . . 0.0 109.741 177.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.9 ' HG ' ' O ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -50.03 -47.77 53.05 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.138 179.652 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.955 HG13 HG21 ' A' ' 37' ' ' VAL . 21.6 t -49.3 -49.33 17.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 O-C-N 121.905 -0.497 . . . . 0.0 111.841 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -70.7 0.19 Allowed 'General case' 0 C--O 1.243 0.726 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -178.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.574 ' HB3' ' CE1' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -48.91 -48.28 42.69 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.317 0.58 . . . . 0.0 110.539 -179.298 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.833 ' CZ ' ' HB ' ' A' ' 44' ' ' THR . 8.5 m-85 -51.84 -44.35 63.55 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.805 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.497 ' HB2' ' CB ' ' A' ' 31' ' ' LYS . . . -45.37 -46.91 13.41 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.77 -48.88 70.32 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.047 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.656 ' CB ' ' HA ' ' A' ' 24' ' ' PHE . . . -41.04 -72.8 0.06 Allowed 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 121.422 0.63 . . . . 0.0 112.185 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.471 ' N ' HD12 ' A' ' 29' ' ' ILE . . . 146.12 35.39 0.06 OUTLIER Glycine 0 CA--C 1.523 0.557 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.303 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.746 HG22 ' H ' ' A' ' 30' ' ' ARG . 2.8 mp -125.61 178.24 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 123.569 0.747 . . . . 0.0 109.321 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.746 ' H ' HG22 ' A' ' 29' ' ' ILE . 5.9 mpt_? -69.34 124.6 24.29 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.045 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.684 ' HA ' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -124.76 124.22 41.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.092 -179.157 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.722 ' O ' HG11 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -148.12 177.62 9.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.665 0.745 . . . . 0.0 111.818 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 34' ' ' ASP . . . -129.65 85.53 2.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 177.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.635 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER 78.77 66.57 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -175.241 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.59 ' O ' ' HB ' ' A' ' 5' ' ' THR . 7.2 t0 -174.02 -123.34 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.216 -178.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 1.3 p -123.4 123.03 39.76 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.955 HG21 HG13 ' A' ' 21' ' ' VAL . 19.0 t -145.44 175.74 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 113.413 -1.721 . . . . 0.0 108.283 178.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.717 ' O ' HD21 ' A' ' 20' ' ' LEU . 88.6 p -96.15 124.15 40.04 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 121.632 -0.667 . . . . 0.0 109.88 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.406 ' HB2' HG12 ' A' ' 4' ' ' VAL . . . -87.83 154.92 20.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.409 ' CG ' ' NH2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER 71.57 2.6 4.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.233 -178.696 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.6 ' CB ' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -70.28 -13.79 62.32 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.143 179.114 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.408 ' HG3' ' HA ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -33.41 -35.64 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.155 0.284 . . . . 0.0 111.72 178.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 41' ' ' GLU . 4.5 mm100 -44.88 -45.77 10.47 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.918 0.389 . . . . 0.0 110.655 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.833 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.2 OUTLIER -70.18 -40.67 74.52 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.492 178.035 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.85 HD11 ' HB3' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -44.57 -49.36 10.17 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.273 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 47' ' ' ASP . 1.3 tt -50.87 -46.15 29.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 175.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.585 ' CB ' ' O ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -49.05 -49.19 42.54 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.22 179.218 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.613 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 73.1 m80 -49.26 -49.48 43.19 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.131 0.491 . . . . 0.0 109.854 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 tp -52.25 -66.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.182 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.898 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.799 0.333 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -123.52 136.44 54.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.611 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -143.72 175.89 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.531 ' H ' HG12 ' A' ' 4' ' ' VAL . 1.3 p -84.69 124.8 31.91 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.183 0.516 . . . . 0.0 110.858 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.986 HD13 ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -52.55 146.31 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.839 179.465 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.986 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.6 OUTLIER 109.55 -74.42 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 125.003 1.439 . . . . 0.0 109.03 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.1 p -57.05 -45.34 83.28 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.012 HD21 ' HB2' ' A' ' 39' ' ' ALA . 9.8 tp -70.45 -46.35 64.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.351 176.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.839 ' HB1' ' CG ' ' A' ' 18' ' ' GLU . . . -46.52 -50.0 17.77 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.277 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.65 -48.78 71.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.621 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -30.62 -66.68 0.1 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.102 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 1.023 ' HB2' HG12 ' A' ' 17' ' ' VAL . 3.1 mpt_? -70.14 -49.43 50.71 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.59 0.709 . . . . 0.0 110.577 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 77.21 102.96 0.07 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.661 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 m 78.38 2.92 2.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.438 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.751 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -116.97 -95.53 0.48 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 119.211 -0.423 . . . . 0.0 111.047 179.667 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.023 HG12 ' HB2' ' A' ' 13' ' ' ARG . 4.0 p -49.38 -49.14 18.39 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 CA-C-O 118.235 -0.888 . . . . 0.0 113.157 -178.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.839 ' CG ' ' HB1' ' A' ' 10' ' ' ALA . 63.5 tt0 -48.39 -53.96 15.75 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 120.541 1.519 . . . . 0.0 108.793 177.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -50.33 -46.14 55.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.986 -1.461 . . . . 0.0 109.972 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.789 ' CD1' ' HA ' ' A' ' 17' ' ' VAL . 8.1 mt -56.23 -48.59 76.19 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.998 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.943 HG22 ' CG2' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -48.28 -48.09 13.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.197 -178.622 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.34 -70.43 0.22 Allowed 'General case' 0 C--O 1.245 0.82 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.643 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 9.6 mm-40 -48.96 -48.87 42.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.488 0.661 . . . . 0.0 110.007 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.787 ' CZ ' ' HB ' ' A' ' 44' ' ' THR . 7.9 m-85 -51.34 -43.98 61.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.288 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.582 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -44.99 -46.52 11.19 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 105.188 -2.152 . . . . 0.0 105.188 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.67 -49.36 75.44 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.103 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.694 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -46.13 -71.97 0.06 Allowed 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.786 0.803 . . . . 0.0 111.624 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.719 ' H ' HD12 ' A' ' 29' ' ' ILE . . . 160.23 43.58 0.02 OUTLIER Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.824 HG22 ' H ' ' A' ' 30' ' ' ARG . 1.7 mp -140.61 -178.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 124.28 1.032 . . . . 0.0 109.341 -177.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.824 ' H ' HG22 ' A' ' 29' ' ' ILE . 1.0 OUTLIER -75.07 151.38 38.67 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 121.982 -0.449 . . . . 0.0 110.931 -177.322 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.683 ' C ' HG12 ' A' ' 21' ' ' VAL . 3.4 ttpt -86.6 163.29 17.52 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.603 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.626 ' CB ' ' HB ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -91.58 175.49 6.89 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.989 -178.245 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 97.69 46.31 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.948 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.719 ' H ' HD12 ' A' ' 6' ' ' ILE . 2.0 t0 60.64 108.89 0.02 OUTLIER 'General case' 0 CA--C 1.527 0.073 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.487 ' N ' HG22 ' A' ' 6' ' ' ILE . 4.0 m-20 160.39 -106.75 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.821 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.448 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 49.8 m -119.74 135.78 54.7 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 120.997 -1.064 . . . . 0.0 112.827 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.943 ' CG2' HG22 ' A' ' 21' ' ' VAL . 12.6 p -140.21 166.71 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.344 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.747 ' HB2' HG21 ' A' ' 29' ' ' ILE . 6.6 m -124.43 123.33 39.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.304 176.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.012 ' HB2' HD21 ' A' ' 9' ' ' LEU . . . -87.18 154.69 20.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.62 0.247 . . . . 0.0 110.551 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 75.28 9.47 3.78 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -77.94 -21.26 51.33 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.874 179.261 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.618 ' N ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -29.37 -36.11 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -55.39 -55.01 36.52 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.774 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.787 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -62.12 -41.67 98.47 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.63 ' HB2' HD22 ' A' ' 20' ' ' LEU . 1.5 tm? -45.09 -49.07 11.91 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.717 -0.614 . . . . 0.0 109.405 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.2 mm -49.96 -46.92 23.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 175.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 44' ' ' THR . 1.5 t70 -49.61 -51.03 40.33 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.574 179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.694 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 73.1 m80 -49.68 -49.55 47.06 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.147 0.499 . . . . 0.0 109.951 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.48 -69.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.066 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.859 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.896 0.379 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.93 132.12 46.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.86 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.698 ' O ' ' O ' ' A' ' 37' ' ' VAL . 0.9 OUTLIER -143.38 175.44 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.36 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.548 ' H ' HG12 ' A' ' 4' ' ' VAL . 58.4 p -85.41 124.14 31.66 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.825 0.821 . . . . 0.0 111.491 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 1.041 HD13 HG21 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -57.25 147.82 5.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 114.119 -1.4 . . . . 0.0 109.902 178.38 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.731 ' H ' HD12 ' A' ' 6' ' ' ILE . 1.7 tmtm? 97.64 -71.08 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.817 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -42.46 69.41 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.743 HD12 HG11 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -70.7 -45.91 64.09 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 113.629 -1.623 . . . . 0.0 108.025 175.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.639 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . . . -46.46 -49.35 18.38 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.408 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.84 -48.86 72.84 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.729 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.538 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 17.0 mm-40 -36.41 -70.25 0.09 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.068 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.83 ' HB2' HG12 ' A' ' 17' ' ' VAL . 10.0 mmt180 -70.41 -48.9 53.94 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.609 0.719 . . . . 0.0 109.879 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 82.47 -45.04 0.15 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.762 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 t -116.66 6.97 13.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.157 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.513 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -122.41 -87.8 0.63 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.468 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.843 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.7 p -54.69 -48.34 72.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -178.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' HB2' ' CA ' ' A' ' 10' ' ' ALA . 28.6 tt0 -47.11 -54.52 10.28 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 121.364 1.893 . . . . 0.0 109.569 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -47.2 71.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.371 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.898 HD12 ' N ' ' A' ' 21' ' ' VAL . 0.2 OUTLIER -54.22 -48.48 71.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.872 -179.447 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.041 HG21 HD13 ' A' ' 6' ' ' ILE . 2.0 t -48.93 -48.79 16.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -67.81 0.4 Allowed 'General case' 0 C--O 1.245 0.824 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.668 ' CG ' HD13 ' A' ' 45' ' ' LEU . 61.6 mm-40 -48.51 -47.97 38.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.516 0.674 . . . . 0.0 109.35 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.728 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 8.2 m-85 -49.51 -44.43 46.21 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.766 179.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 24' ' ' PHE . . . -44.99 -46.41 11.14 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 178.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -49.45 76.43 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.213 175.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.119 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . . . -48.84 -76.81 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.555 0.693 . . . . 0.0 112.332 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.42 ' H ' ' H ' ' A' ' 29' ' ' ILE . . . 170.46 7.13 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.367 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.588 ' HB ' ' HB3' ' A' ' 24' ' ' PHE . 1.4 mp -97.53 -179.04 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 124.914 1.285 . . . . 0.0 107.939 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.58 ' H ' HG23 ' A' ' 29' ' ' ILE . 2.3 tpp85 -77.53 159.93 28.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 119.328 0.967 . . . . 0.0 111.278 -176.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.804 ' C ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -87.67 165.81 15.13 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -177.335 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.662 ' HA ' HG12 ' A' ' 6' ' ' ILE . 1.6 t -85.99 162.45 18.5 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 114.627 -1.17 . . . . 0.0 112.741 -178.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . 98.57 46.61 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.46 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.505 ' HA ' ' HB2' ' A' ' 7' ' ' LYS . 1.2 t70 66.82 114.09 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.027 0.441 . . . . 0.0 111.202 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.611 ' N ' HG23 ' A' ' 6' ' ' ILE . 7.5 t0 178.31 -144.8 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.332 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 8.1 t -128.24 91.38 3.24 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.391 -0.818 . . . . 0.0 111.253 177.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.992 HG21 HG13 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -108.69 176.86 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -178.218 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.55 ' H ' HG22 ' A' ' 37' ' ' VAL . 4.5 m -103.78 124.08 48.24 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.776 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.479 ' HB2' ' HG ' ' A' ' 9' ' ' LEU . . . -84.69 156.06 21.65 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.699 0.285 . . . . 0.0 110.542 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 74.82 0.08 3.46 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.619 ' HB2' HD22 ' A' ' 20' ' ' LEU . 10.0 mm-40 -73.75 -18.07 61.02 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.435 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.427 ' HA ' HD23 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -32.46 -35.55 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 179.334 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -49.84 -52.92 28.84 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 179.723 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.626 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -70.14 -41.35 74.01 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.056 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.699 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 0.1 OUTLIER -45.83 -48.89 15.74 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -179.683 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.469 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 66.3 mt -54.98 -45.73 76.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 175.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 44' ' ' THR . 3.8 t70 -48.44 -70.19 0.1 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 114.621 -1.172 . . . . 0.0 113.014 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 1.119 ' CE1' ' HB2' ' A' ' 27' ' ' ALA . 13.7 p-80 -65.85 -48.35 71.87 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.805 HD23 ' N ' ' A' ' 50' ' ' ASN . 4.8 tt -49.25 -70.15 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.702 0.287 . . . . 0.0 111.37 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.805 ' N ' HD23 ' A' ' 49' ' ' LEU . 1.8 t30 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 stop_ save_