data_2k9e_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 2k9e _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 ' 5' ' ' ASP . . . . . 0.566 ' OD1' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 121.101 0.477 . . . . 0.0 111.072 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.2 p -116.53 -11.57 11.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.486 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.9 146.79 36.86 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.435 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.546 ' O ' ' N ' ' A' ' 10' ' ' SER . 51.6 Cg_exo -44.48 106.55 0.08 OUTLIER 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.544 2.163 . . . . 0.0 111.956 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -37.84 -26.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.427 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 8' ' ' PRO . 10.5 t -63.21 2.16 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.118 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.494 ' H ' ' C ' ' A' ' 9' ' ' LYS . 11.7 mmt180 -100.35 -26.72 13.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.48 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.0 t -73.32 97.38 2.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.376 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.497 ' HG1' ' H ' ' A' ' 16' ' ' GLN . 2.3 p -103.93 160.35 14.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.769 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.94 -9.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.071 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -91.78 -38.91 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.018 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.497 ' H ' ' HG1' ' A' ' 13' ' ' THR . 0.9 OUTLIER -71.5 -33.28 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.165 179.611 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.508 ' SG ' ' CG ' ' A' ' 24' ' ' ARG . 16.5 t -79.57 7.52 8.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.699 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -128.84 -34.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.516 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.505 ' HD1' ' N ' ' A' ' 19' ' ' HIS . 2.2 m80 -98.43 -37.3 9.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.652 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.483 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 5.9 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.364 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.599 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.1 OUTLIER . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 120.994 0.426 . . . . 0.0 110.188 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.645 ' O ' ' CB ' ' A' ' 28' ' ' CYS . 3.8 m-85 -78.99 -41.02 30.04 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.295 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.508 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 2.5 mtp180 -80.87 7.13 11.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.417 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.634 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -161.72 29.17 0.13 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.115 -0.634 . . . . 0.0 111.944 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.599 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -158.35 -57.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.666 179.085 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.566 ' O ' ' OD1' ' A' ' 5' ' ' ASP . 39.5 m-85 -101.44 -44.03 5.74 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.662 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.1 OUTLIER -93.16 66.72 4.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.088 0.471 . . . . 0.0 110.577 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.438 ' HA ' ' CG2' ' A' ' 34' ' ' THR . 0.1 OUTLIER -92.66 44.67 1.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.206 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.518 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 2.6 pptp? -177.36 -47.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.014 0.435 . . . . 0.0 110.79 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.662 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -59.22 -51.38 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.806 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 93.6 m -71.74 5.7 2.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.661 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 55.91 33.4 60.23 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.438 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 9.6 t -84.69 -11.97 54.8 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.607 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.51 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 43.4 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.368 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 121.201 0.524 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.9 p -121.71 -20.76 6.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.264 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 pt -101.65 148.68 35.6 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.915 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.703 ' O ' ' N ' ' A' ' 10' ' ' SER . 37.4 Cg_endo -70.03 127.32 14.22 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.228 1.952 . . . . 0.0 111.61 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.623 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -29.12 -30.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.955 -179.741 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.703 ' N ' ' O ' ' A' ' 8' ' ' PRO . 8.1 t -54.39 -0.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.961 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.623 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -109.24 0.76 19.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.67 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -105.19 108.47 20.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.526 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.583 ' C ' ' H ' ' A' ' 15' ' ' PHE . 11.2 p -111.26 160.63 16.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.444 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.32 -0.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.667 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -104.71 -42.41 5.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.322 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.545 ' O ' ' OG ' ' A' ' 20' ' ' SER . 10.8 mm-40 -74.24 -53.09 10.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.372 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.674 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 5.2 t -64.09 5.31 0.25 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.802 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.545 ' H ' ' C ' ' A' ' 16' ' ' GLN . 4.9 ttmm -127.34 -39.25 1.89 Allowed 'General case' 1 C--O 1.567 17.797 1 CA-C-O 149.622 14.058 . . . . 0.0 111.028 -179.906 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.667 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 13.6 m80 -92.86 -23.47 18.79 Favored 'General case' 0 N--CA 1.449 -0.507 1 O-C-N 89.605 -20.684 . . . . 0.0 110.625 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.545 ' OG ' ' O ' ' A' ' 16' ' ' GLN . 63.9 p . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.934 0.397 . . . . 0.0 110.702 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.179 0 CA-C-O 120.569 0.224 . . . . 0.0 110.516 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.698 ' O ' ' N ' ' A' ' 28' ' ' CYS . 3.9 m-85 -106.17 -46.37 4.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.087 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -75.58 -4.26 38.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.228 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 pp -145.82 26.07 1.27 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.498 -0.481 . . . . 0.0 112.146 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -151.96 -63.24 0.17 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.966 0.412 . . . . 0.0 110.296 179.346 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.05 -52.04 4.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.172 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.698 ' N ' ' O ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -89.28 35.82 0.82 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.689 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -71.57 28.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.99 -179.362 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.541 ' H ' ' C ' ' A' ' 28' ' ' CYS . 1.4 pttp -162.31 -47.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.397 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.651 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -53.24 -54.37 37.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.629 -179.267 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.8 m -65.57 20.45 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.32 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.651 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 47.9 31.62 8.03 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -54.66 6.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.145 -0.527 . . . . 0.0 110.97 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.655 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.625 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 121.068 0.461 . . . . 0.0 111.643 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 5' ' ' ASP . 46.3 p -159.82 32.58 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.035 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.573 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -122.53 122.87 27.18 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.434 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.652 ' O ' ' N ' ' A' ' 10' ' ' SER . 50.0 Cg_exo -41.99 93.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 121.979 1.786 . . . . 0.0 111.495 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.644 ' C ' ' H ' ' A' ' 11' ' ' ARG . 1.4 mttt -21.97 -41.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.363 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.652 ' N ' ' O ' ' A' ' 8' ' ' PRO . 7.9 t -67.39 27.17 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.789 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.644 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.29 -25.34 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.692 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.0 t -76.58 100.35 5.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.533 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.526 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.7 p -105.52 150.83 24.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.59 -10.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.049 0.452 . . . . 0.0 110.018 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.774 ' CE2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -91.81 -36.65 13.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.382 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.774 ' NE2' ' CE2' ' A' ' 15' ' ' PHE . 1.1 tp-100 -79.07 -34.46 43.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.538 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -78.55 23.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' A' ' 16' ' ' GLN . 24.2 tttm -146.83 -35.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.587 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 1.7 m80 -84.87 -41.89 15.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.637 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.614 0.245 . . . . 0.0 111.392 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.705 ' O ' ' N ' ' A' ' 28' ' ' CYS . 4.1 m-85 -104.36 -45.03 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.203 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.578 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -84.05 9.55 12.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.419 179.308 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.5 mt -140.27 11.2 2.35 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.4 m -160.17 -56.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.9 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -89.89 -56.62 3.16 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.469 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.705 ' N ' ' O ' ' A' ' 23' ' ' TYR . 47.3 m -91.81 36.73 0.96 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HA ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -62.52 9.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.413 -179.289 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.592 ' H ' ' C ' ' A' ' 28' ' ' CYS . 12.4 pttm -139.82 -44.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.169 0.509 . . . . 0.0 110.37 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.53 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -47.94 -55.89 8.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.771 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 33' ' ' GLY . 4.0 m -76.68 21.79 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.473 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.53 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 38.57 44.19 1.72 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.578 ' CG2' ' O ' ' A' ' 24' ' ' ARG . 9.0 t -90.89 -35.73 14.58 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.453 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.6 t . . . . . 0 C--N 1.33 -0.261 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.525 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.764 0.316 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.2 t -145.3 8.42 1.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.825 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.418 ' CG1' ' HB3' ' A' ' 27' ' ' PHE . 1.2 pt -133.85 150.49 74.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.548 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' SER . 46.1 Cg_endo -70.64 140.21 38.85 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.796 2.331 . . . . 0.0 112.104 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.644 ' C ' ' H ' ' A' ' 11' ' ' ARG . 5.1 mtmt -46.37 -16.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.942 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' PRO . 58.4 m -58.22 4.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.737 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.644 ' H ' ' C ' ' A' ' 9' ' ' LYS . 9.4 mtt85 -127.57 2.61 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.5 104.73 16.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.259 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.607 ' C ' ' H ' ' A' ' 15' ' ' PHE . 2.2 p -116.64 163.36 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.739 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.83 10.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.156 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.607 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -118.3 -23.41 7.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.253 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.607 ' OE1' ' CZ ' ' A' ' 23' ' ' TYR . 36.9 mm-40 -86.47 -46.59 10.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.943 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -60.57 0.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.039 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.517 ' H ' ' C ' ' A' ' 16' ' ' GLN . 29.0 ttmt -125.14 -38.2 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.634 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.588 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.7 m80 -84.45 -46.15 11.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.357 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.675 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 78.8 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.12 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.668 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.799 0.333 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.675 ' CD1' ' OG ' ' A' ' 20' ' ' SER . 11.1 m-85 -127.45 -50.08 1.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 6.3 mtm-85 -78.48 17.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.377 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -173.7 35.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.63 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.58 -67.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.092 0.473 . . . . 0.0 110.134 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.668 ' CD2' ' O ' ' A' ' 22' ' ' LYS . 1.8 m-85 -100.58 -56.61 2.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.36 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.517 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER -88.97 56.21 3.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.205 0.526 . . . . 0.0 110.198 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.677 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -93.44 28.89 2.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.452 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -151.51 -35.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.95 179.627 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.517 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -68.07 -44.92 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.699 179.382 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -2.59 37.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.136 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.73 31.42 78.35 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.67 -12.18 60.01 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.641 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 43.2 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.671 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.611 ' OD1' ' O ' ' A' ' 26' ' ' SER . 0.2 OUTLIER . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.478 0.656 . . . . 0.0 111.428 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.1 p -143.48 15.1 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.626 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.471 HG22 HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -146.75 158.41 45.94 Favored Pre-proline 0 N--CA 1.456 -0.166 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.859 -179.446 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.468 ' C ' ' H ' ' A' ' 10' ' ' SER . 50.8 Cg_endo -73.39 144.37 36.44 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 122.795 2.33 . . . . 0.0 111.457 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -53.36 -10.41 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.55 -179.73 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.468 ' H ' ' C ' ' A' ' 8' ' ' PRO . 74.8 p -71.78 8.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.432 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -126.98 -3.78 6.38 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.843 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 27' ' ' PHE . 11.5 m -106.72 85.94 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.838 0.351 . . . . 0.0 110.448 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.641 ' C ' ' H ' ' A' ' 15' ' ' PHE . 4.5 p -87.94 164.24 15.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.688 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.71 13.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.641 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -127.27 -45.03 1.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.244 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.451 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 6.3 tp60 -58.14 -34.22 70.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.974 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.65 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 7.6 p -96.35 16.76 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.453 ' HB3' ' HD1' ' A' ' 19' ' ' HIS . 12.3 tttm -118.0 -26.08 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.357 . . . . 0.0 110.695 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.623 ' HD1' ' N ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -107.0 -38.98 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.71 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.603 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.523 -0.07 0 CA-C-O 120.992 0.425 . . . . 0.0 110.49 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.702 ' O ' ' N ' ' A' ' 28' ' ' CYS . 13.1 m-85 -103.61 -23.73 13.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.096 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 17' ' ' CYS . 7.2 mtm105 -89.71 -20.32 23.74 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.328 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.427 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 1.2 pp -128.86 26.92 5.5 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.147 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.611 ' O ' ' OD1' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -157.47 -54.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.583 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.61 ' O ' ' OD2' ' A' ' 5' ' ' ASP . 3.8 m-85 -100.35 -21.5 15.4 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.693 -0.403 . . . . 0.0 112.061 -178.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.702 ' N ' ' O ' ' A' ' 23' ' ' TYR . 1.8 m -130.61 51.06 2.15 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.414 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.69 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -77.4 39.1 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.836 179.665 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.502 ' HB3' HH21 ' A' ' 29' ' ' ARG . 0.0 OUTLIER -172.77 -44.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.684 -179.372 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.665 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -58.46 -61.22 2.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.637 -179.618 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.65 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -63.83 11.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.948 0.404 . . . . 0.0 110.213 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.665 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 54.41 31.75 51.52 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 24' ' ' ARG . 9.8 t -76.17 -33.34 59.35 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.519 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.445 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.677 ' OD2' ' NZ ' ' A' ' 30' ' ' LYS . 1.9 p-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.384 0.611 . . . . 0.0 111.625 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.2 p -138.09 20.25 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.12 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.45 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -117.18 128.89 25.71 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.65 -178.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.697 ' O ' ' N ' ' A' ' 10' ' ' SER . 15.6 Cg_endo -62.8 114.69 2.52 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 121.631 1.554 . . . . 0.0 111.303 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' A' ' 11' ' ' ARG . 43.7 pttt -33.96 -23.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.697 ' N ' ' O ' ' A' ' 8' ' ' PRO . 1.2 p -70.33 12.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.693 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.523 ' H ' ' C ' ' A' ' 9' ' ' LYS . 7.5 mtm-85 -126.57 -20.61 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.69 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.433 ' SG ' HD12 ' A' ' 7' ' ' ILE . 77.8 m -87.26 78.83 8.71 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.45 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -90.62 158.86 16.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 -179.381 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.07 -8.66 0.69 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.312 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.653 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -94.73 -33.52 12.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.868 179.829 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.61 ' NE2' ' CZ ' ' A' ' 23' ' ' TYR . 8.0 mm100 -86.41 -30.7 21.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.989 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.77 14.48 1.06 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.788 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.56 ' O ' ' NH2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -139.47 -33.06 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.806 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.653 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 1.9 m80 -82.88 -56.78 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.052 179.651 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.588 ' O ' ' OG ' ' A' ' 26' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.169 0 CA-C-O 120.792 0.329 . . . . 0.0 110.395 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CZ ' ' NE2' ' A' ' 16' ' ' GLN . 3.8 m-85 -81.79 -47.81 12.39 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.871 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -77.08 24.69 0.16 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.299 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.88 32.44 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.166 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.588 ' OG ' ' O ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -160.75 -70.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.422 0.63 . . . . 0.0 110.73 179.517 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.456 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 85.8 m-85 -86.27 -43.57 12.83 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.454 -178.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.43 ' C ' ' H ' ' A' ' 30' ' ' LYS . 3.9 m -101.43 64.52 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.12 0.486 . . . . 0.0 109.838 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' A' ' 35' ' ' CYS . 5.3 mtp180 -73.76 36.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.773 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.677 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -176.98 -45.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.282 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.533 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -58.8 -44.33 90.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.593 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.447 ' SG ' ' HB3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -74.1 4.68 5.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.501 179.056 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 55.4 37.14 65.03 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 35' ' ' CYS . 10.1 t -101.55 -36.95 8.6 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.138 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.509 ' C ' ' O ' ' A' ' 34' ' ' THR . 40.2 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.528 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 120.85 0.357 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 t -138.39 -2.88 1.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.148 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.402 ' CG1' ' HB3' ' A' ' 27' ' ' PHE . 1.6 pp -130.03 146.64 62.29 Favored Pre-proline 0 C--N 1.33 -0.252 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.045 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.564 ' C ' ' H ' ' A' ' 10' ' ' SER . 52.0 Cg_exo -42.16 119.75 1.36 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.759 2.306 . . . . 0.0 112.353 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HB3' ' HZ1' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -61.45 1.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.311 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.564 ' H ' ' C ' ' A' ' 8' ' ' PRO . 5.4 t -71.73 -28.07 63.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.427 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -77.56 -2.69 36.93 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.252 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.29 102.27 4.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.934 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.667 ' C ' ' H ' ' A' ' 15' ' ' PHE . 2.9 p -124.6 158.43 33.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.413 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.91 12.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.014 0.435 . . . . 0.0 110.145 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.667 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -117.33 -25.81 6.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.141 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -81.52 -39.74 24.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -0.32 12.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.68 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HB3' ' HZ1' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -117.69 -43.99 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.02 0.438 . . . . 0.0 110.418 -179.682 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 16.6 m80 -83.4 -38.8 21.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.381 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.48 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 20.0 m . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.336 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.748 0.308 . . . . 0.0 110.479 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.544 ' O ' ' C ' ' A' ' 28' ' ' CYS . 38.5 m-85 -104.46 -28.22 11.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.657 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.601 ' O ' ' OG1' ' A' ' 34' ' ' THR . 0.0 OUTLIER -97.16 5.86 49.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.442 ' CD2' ' NH1' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -157.59 27.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.074 179.722 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -160.43 -61.12 0.06 Allowed 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.236 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 2.2 m-85 -94.8 -67.18 0.87 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.245 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.59 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.5 OUTLIER -87.94 47.47 1.51 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.477 0.656 . . . . 0.0 110.364 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.748 HH12 ' CB ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -81.1 31.53 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.189 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 31' ' ' THR . 8.4 pttm -151.46 -44.75 0.11 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.499 0.666 . . . . 0.0 109.753 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.59 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -71.39 -45.77 61.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.332 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.5 m -64.61 -6.61 8.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.267 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.99 24.15 62.36 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.601 ' OG1' ' O ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -78.65 -36.06 44.46 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.52 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.748 ' CB ' HH12 ' A' ' 29' ' ' ARG . 12.9 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.691 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.566 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 13.0 p-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.279 0.561 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.7 p -119.47 20.17 12.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.129 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 9' ' ' LYS . 6.4 tt -90.83 133.73 31.76 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.563 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.876 ' O ' ' N ' ' A' ' 10' ' ' SER . 15.9 Cg_endo -65.74 66.16 0.4 Allowed 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.85 1.7 . . . . 0.0 110.754 178.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.68 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER 12.02 -59.23 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 O-C-N 124.673 1.233 . . . . 0.0 112.61 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.876 ' N ' ' O ' ' A' ' 8' ' ' PRO . 5.2 m -54.67 5.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.298 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.68 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -103.32 -26.59 12.88 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.485 -179.516 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.7 t -86.48 103.24 14.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 111.228 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.564 ' HG1' ' H ' ' A' ' 16' ' ' GLN . 3.3 p -115.41 155.68 26.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.432 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.72 -13.18 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.189 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.625 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -87.98 -42.84 12.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.551 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.564 ' H ' ' HG1' ' A' ' 13' ' ' THR . 1.0 OUTLIER -67.1 -44.54 79.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.573 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.446 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -62.89 -2.71 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.673 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 16' ' ' GLN . 60.4 mttt -114.04 -36.66 4.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.096 0.474 . . . . 0.0 110.02 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.6 m80 -91.37 -10.57 40.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.48 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.669 ' OG ' ' NZ ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.537 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.669 ' NZ ' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.238 0 CA-C-O 121.135 0.493 . . . . 0.0 110.216 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.448 ' CE2' HD13 ' A' ' 7' ' ' ILE . 5.6 m-85 -92.91 -39.18 11.3 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -68.13 -2.35 7.77 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.204 -179.631 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -166.86 39.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.949 -0.7 . . . . 0.0 112.01 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -160.78 -54.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.196 179.247 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -101.06 -27.94 12.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.526 ' C ' ' H ' ' A' ' 30' ' ' LYS . 28.2 m -110.57 61.62 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' HE ' ' HB3' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -72.61 25.74 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.526 ' H ' ' C ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -161.75 -37.05 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.881 0.372 . . . . 0.0 111.032 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.473 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -63.3 -44.21 95.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.917 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.86 18.14 15.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.202 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 42.64 35.91 2.21 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.558 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -85.17 4.51 34.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.721 0.296 . . . . 0.0 110.671 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.458 179.838 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.498 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 17.3 p-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.713 0.292 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -134.31 -0.89 2.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.724 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.8 pt -147.09 148.08 31.09 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.338 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -42.32 135.15 4.41 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.637 2.225 . . . . 0.0 112.009 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.52 ' C ' ' H ' ' A' ' 11' ' ' ARG . 13.4 mtpp -56.16 -19.5 13.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.777 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 p -69.07 10.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.757 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.52 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -105.66 -29.95 9.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.774 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 t -69.22 98.59 1.05 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.813 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.66 ' C ' ' H ' ' A' ' 15' ' ' PHE . 7.3 p -113.67 145.01 41.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.205 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.82 -4.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.049 0.452 . . . . 0.0 110.022 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.66 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -102.58 -27.75 12.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.392 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.538 ' O ' ' OG ' ' A' ' 20' ' ' SER . 15.9 mm100 -84.17 -39.94 18.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.558 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.602 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -65.86 -0.05 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.987 0.422 . . . . 0.0 110.124 179.713 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -119.73 -40.05 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.378 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.591 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.4 m80 -87.1 -34.66 19.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.852 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.606 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 42.3 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.474 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.833 0.349 . . . . 0.0 110.587 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CD1' ' OG ' ' A' ' 20' ' ' SER . 9.0 m-85 -110.2 -49.33 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.799 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.602 ' NH1' ' O ' ' A' ' 17' ' ' CYS . 19.3 mtm-85 -67.14 -5.74 14.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.536 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 pp -162.76 42.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.528 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -161.17 -58.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.934 179.35 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 1.9 m-85 -100.27 -43.33 6.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.071 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.9 m -99.37 66.91 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 110.033 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.514 ' HE ' ' HA ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -80.13 15.65 1.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.049 -179.417 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' HD2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -161.28 -34.65 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.871 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.503 ' H ' ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -65.36 -44.8 86.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.98 0.87 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.431 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.09 27.66 71.64 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.602 ' O ' ' O ' ' A' ' 35' ' ' CYS . 9.2 t -87.71 -44.81 10.89 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.446 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.602 ' O ' ' O ' ' A' ' 34' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 . . . . . 0 C--O 1.23 0.075 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.6 p -121.16 18.59 11.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.699 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.28 148.43 59.57 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.638 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -67.13 135.12 36.21 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.9 2.4 . . . . 0.0 112.197 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -15.02 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.707 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -53.51 -30.43 41.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.562 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.53 -18.72 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.416 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.78 90.05 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.475 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.507 ' HG1' ' H ' ' A' ' 15' ' ' PHE . 2.4 p -107.67 166.2 10.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.673 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.43 -6.53 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.88 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.507 ' H ' ' HG1' ' A' ' 13' ' ' THR . 0.0 OUTLIER -98.59 -49.5 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.044 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -62.61 -27.9 69.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.54 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.62 16.29 15.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.821 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -130.19 -34.17 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.315 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.416 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 7.6 m80 -93.58 -27.04 16.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.364 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.546 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.806 0.336 . . . . 0.0 110.455 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -97.52 -32.92 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.544 ' O ' ' CD2' ' A' ' 25' ' ' LEU . 33.3 mtm180 -78.16 -12.8 60.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.487 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.574 ' C ' HH21 ' A' ' 29' ' ' ARG . 0.3 OUTLIER -148.91 37.99 0.81 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.833 -179.18 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -160.97 -51.94 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.7 179.598 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -101.44 -34.47 9.56 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.65 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.5 OUTLIER -111.18 67.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.015 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.574 HH21 ' C ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -85.26 43.21 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.115 179.25 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 31' ' ' THR . 6.8 pttm -170.32 -47.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.566 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.65 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -64.83 -55.26 20.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.203 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 9.51 0.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.86 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 50.44 30.22 18.71 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 109.766 -1.333 . . . . 0.0 109.766 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.413 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 8.8 t -86.99 -28.2 22.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.73 0.3 . . . . 0.0 110.789 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.491 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 1.5 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.187 0.518 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.4 t -148.48 20.12 1.06 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.469 -0.787 . . . . 0.0 108.907 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.618 ' O ' ' N ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -109.9 125.47 31.08 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.797 -178.766 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.694 ' O ' ' N ' ' A' ' 10' ' ' SER . 73.6 Cg_exo -36.7 84.25 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.167 1.912 . . . . 0.0 111.821 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.651 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -18.91 -43.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.625 -179.53 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.694 ' N ' ' O ' ' A' ' 8' ' ' PRO . 40.7 t -66.94 27.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.867 0.365 . . . . 0.0 110.787 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.651 ' H ' ' C ' ' A' ' 9' ' ' LYS . 10.3 mmt180 -128.19 -24.97 3.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.538 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.5 t -72.1 87.2 1.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.901 0.382 . . . . 0.0 110.342 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.483 ' C ' ' H ' ' A' ' 15' ' ' PHE . 18.4 p -100.72 165.74 11.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.736 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.04 -1.03 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.113 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -101.55 -47.01 4.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.175 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.48 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -69.18 -33.6 73.62 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.397 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.666 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 20.8 t -83.21 12.61 5.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.867 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.11 -41.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.081 0.467 . . . . 0.0 110.484 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.484 ' HD1' ' N ' ' A' ' 19' ' ' HIS . 3.2 m80 -85.94 -23.14 27.07 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.941 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.483 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 22.3 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.271 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.4 OUTLIER . . . . . 0 CA--C 1.527 0.071 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.483 ' CD1' ' HB2' ' A' ' 20' ' ' SER . 14.6 m-85 -76.52 -56.12 4.91 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.229 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.732 ' CD ' ' H ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -59.2 -8.28 1.54 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.341 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.648 ' C ' HH11 ' A' ' 29' ' ' ARG . 1.4 pp -151.13 32.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.54 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -161.51 -57.08 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.546 -0.461 . . . . 0.0 111.337 179.079 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 3.2 m-30 -97.21 -15.68 20.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.06 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.464 ' C ' ' H ' ' A' ' 30' ' ' LYS . 89.7 m -130.49 58.23 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.248 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.648 HH11 ' C ' ' A' ' 25' ' ' LEU . 5.9 mmm180 -77.54 33.87 0.17 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.516 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -178.66 -46.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.116 0.484 . . . . 0.0 110.68 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.574 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -43.9 -66.93 0.32 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.414 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 15.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.574 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 50.43 37.83 33.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -83.07 -34.07 26.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.693 0.283 . . . . 0.0 110.937 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.716 -179.834 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.723 0.297 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.0 p -129.89 -3.91 4.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.883 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 pp -133.87 150.94 75.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.552 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -40.57 117.86 0.54 Allowed 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.747 2.298 . . . . 0.0 112.234 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.6 ' HZ3' ' HZ3' ' A' ' 30' ' ' LYS . 6.3 mttp -53.21 -19.53 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.707 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -15.68 63.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.403 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -89.63 -6.51 56.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.2 t -101.48 83.24 2.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.598 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.612 ' HG1' ' H ' ' A' ' 16' ' ' GLN . 2.0 p -88.46 161.9 16.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.727 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 -9.64 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.111 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.651 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -94.17 -39.71 10.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.073 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.612 ' H ' ' HG1' ' A' ' 13' ' ' THR . 0.8 OUTLIER -67.99 -29.97 69.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.237 179.559 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.424 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -71.85 4.31 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.64 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.04 -36.59 1.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.91 0.386 . . . . 0.0 110.184 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.476 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 5.8 m80 -86.61 -14.45 42.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.293 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.813 ' HG ' ' HZ2' ' A' ' 22' ' ' LYS . 5.7 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.401 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.813 ' HZ2' ' HG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.46 0.038 0 CA-C-O 120.814 0.34 . . . . 0.0 110.631 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.44 ' O ' ' CB ' ' A' ' 28' ' ' CYS . 9.6 m-85 -104.36 -35.6 7.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.424 ' CD ' ' O ' ' A' ' 17' ' ' CYS . 11.9 mtm180 -83.17 -5.61 59.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.281 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 3.2 pp -153.15 37.37 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.311 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -160.43 -55.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.957 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 3.6 m-30 -100.0 -40.16 7.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.44 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 1.8 m -104.66 68.56 0.86 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.01 0.434 . . . . 0.0 110.004 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 35' ' ' CYS . 3.3 mmm180 -80.31 -0.82 38.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.034 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.6 ' HZ3' ' HZ3' ' A' ' 9' ' ' LYS . 1.8 mtmm -138.48 -43.16 0.49 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.582 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -54.53 -57.42 11.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -179.598 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.31 15.79 0.11 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.582 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 42.47 42.48 4.54 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.433 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 11.1 t -92.03 -8.84 44.83 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.969 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.448 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.536 ' OD2' ' NZ ' ' A' ' 30' ' ' LYS . 2.3 p30 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.081 0.467 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.4 p -142.8 28.36 1.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.357 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.552 ' O ' ' N ' ' A' ' 9' ' ' LYS . 1.1 tt -131.79 129.45 21.97 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.81 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.712 ' O ' ' N ' ' A' ' 10' ' ' SER . 5.5 Cg_exo -49.56 85.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 121.475 1.45 . . . . 0.0 111.261 179.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.676 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -11.8 -50.29 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.794 -179.343 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.712 ' N ' ' O ' ' A' ' 8' ' ' PRO . 8.0 m -49.47 0.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.506 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.676 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -102.21 -18.04 15.68 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.017 -179.614 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.7 m -80.57 95.54 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 0.0 110.495 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.454 ' HG1' ' HB3' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -97.72 159.02 15.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.635 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.98 -13.78 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.058 0.456 . . . . 0.0 109.775 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.703 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -92.04 -40.86 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.489 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.558 ' C ' ' H ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -68.6 -31.98 71.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.309 0.576 . . . . 0.0 109.705 179.752 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.708 ' C ' HH11 ' A' ' 24' ' ' ARG . 3.4 m -71.22 25.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.559 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.829 ' N ' ' NH1' ' A' ' 24' ' ' ARG . 18.2 tttt -164.08 -18.53 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.656 0.614 . . . . 0.0 112.656 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.703 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.4 m80 -107.45 -12.87 15.22 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.728 ' C ' ' NH2' ' A' ' 24' ' ' ARG . 69.8 m . . . . . 0 N--CA 1.466 0.374 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.1 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.629 ' N ' ' O ' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.205 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.512 ' CE2' ' HG2' ' A' ' 16' ' ' GLN . 8.1 m-85 -120.01 -48.95 2.32 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.465 178.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.829 ' NH1' ' N ' ' A' ' 18' ' ' LYS . 3.9 mtm-85 -63.36 -25.32 68.24 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.05 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.43 51.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.948 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.46 -60.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.1 0.476 . . . . 0.0 109.934 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.477 ' CE2' ' CG ' ' A' ' 22' ' ' LYS . 8.2 m-85 -100.64 -54.99 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.78 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.482 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 3.2 m -92.24 68.87 5.12 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.268 0.556 . . . . 0.0 110.185 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.671 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -67.46 -4.7 12.08 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.364 -179.365 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.536 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -135.96 -46.44 0.65 Allowed 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.277 -179.382 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.687 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -50.32 -61.38 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.427 -178.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.482 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 97.5 m -53.19 -2.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.687 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 68.14 34.55 81.31 Favored Glycine 0 C--N 1.331 0.289 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.556 ' CG2' ' O ' ' A' ' 24' ' ' ARG . 8.1 t -91.14 -35.57 14.49 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.411 -0.515 . . . . 0.0 111.819 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.671 ' SG ' ' O ' ' A' ' 29' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.227 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.149 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.472 ' C ' ' OD1' ' A' ' 5' ' ' ASP . 35.1 p30 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.339 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.4 p -131.65 11.91 4.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.309 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.488 ' O ' ' CD1' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -131.2 150.4 76.4 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.378 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.69 ' O ' ' N ' ' A' ' 10' ' ' SER . 6.8 Cg_endo -54.6 105.45 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.747 2.298 . . . . 0.0 111.669 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.679 ' NZ ' ' HG1' ' A' ' 31' ' ' THR . 14.8 mtpp -33.35 -25.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.641 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.69 ' N ' ' O ' ' A' ' 8' ' ' PRO . 96.8 p -66.24 18.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.486 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.648 ' H ' ' C ' ' A' ' 9' ' ' LYS . 2.8 mmm-85 -118.7 -11.3 9.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.246 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.2 m -82.83 101.38 10.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.381 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.462 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.3 p -108.92 159.76 16.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.17 -7.62 0.87 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.073 0.463 . . . . 0.0 110.249 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.492 ' CE2' ' NE2' ' A' ' 16' ' ' GLN . 1.1 t80 -94.03 -32.94 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.331 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.56 ' OE1' ' CZ ' ' A' ' 23' ' ' TYR . 15.9 mm-40 -76.55 -41.01 48.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.8 t -73.7 0.85 11.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.374 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -120.01 -35.98 3.37 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.668 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.469 ' N ' ' ND1' ' A' ' 19' ' ' HIS . 6.1 m80 -105.23 -43.13 5.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.426 ' OG ' ' NE2' ' A' ' 16' ' ' GLN . 24.6 m . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.345 0.593 . . . . 0.0 110.208 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.59 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.5 pttm . . . . . 0 CA--C 1.521 -0.151 0 CA-C-O 121.008 0.432 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.653 ' O ' ' CB ' ' A' ' 28' ' ' CYS . 6.8 m-85 -82.78 -43.72 16.4 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.321 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.456 ' HG2' ' SG ' ' A' ' 32' ' ' CYS . 22.3 mtm-85 -73.73 10.41 1.13 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.956 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -170.17 31.86 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 120.074 -0.65 . . . . 0.0 112.41 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -159.92 -62.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.305 179.094 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.432 ' CD1' ' CG2' ' A' ' 7' ' ' ILE . 25.3 m-85 -100.04 -14.04 18.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.328 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.653 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -138.19 38.81 2.31 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.478 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.612 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -68.64 36.08 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.612 -178.722 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.585 ' CG ' ' N ' ' A' ' 31' ' ' THR . 2.5 pttp -166.69 -49.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.214 0.531 . . . . 0.0 110.555 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.679 ' HG1' ' NZ ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -51.73 -52.27 49.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.898 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.456 ' SG ' ' HG2' ' A' ' 24' ' ' ARG . 90.8 m -61.32 3.35 0.11 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.762 178.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.619 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 61.29 33.02 82.91 Favored Glycine 0 N--CA 1.462 0.397 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 -179.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 t -76.7 -48.97 17.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.667 0.27 . . . . 0.0 110.894 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.223 -0.322 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.789 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--O 1.231 0.125 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -153.96 15.08 0.48 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -130.06 131.05 23.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.538 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -42.75 140.72 2.78 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.417 2.078 . . . . 0.0 112.031 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -62.13 -11.58 15.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.958 0.409 . . . . 0.0 110.205 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.42 -27.38 68.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.644 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -85.16 -19.48 31.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.642 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.12 92.99 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.25 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.467 ' C ' ' H ' ' A' ' 15' ' ' PHE . 7.3 p -110.98 169.25 8.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.74 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.63 -3.28 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.861 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.467 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -97.49 -48.15 5.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.861 179.616 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.561 ' OE1' ' CZ ' ' A' ' 23' ' ' TYR . 3.6 mm-40 -73.37 -34.94 65.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.123 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.652 ' C ' HH11 ' A' ' 24' ' ' ARG . 0.5 OUTLIER -86.52 19.05 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.44 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.748 ' N ' ' NH1' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -135.19 -36.1 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.399 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.674 ' C ' HH22 ' A' ' 24' ' ' ARG . 0.4 OUTLIER -97.7 -27.81 14.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.612 ' N ' HH12 ' A' ' 24' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.463 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.615 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.577 0 CA-C-O 121.254 0.55 . . . . 0.0 110.239 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.561 ' CZ ' ' OE1' ' A' ' 16' ' ' GLN . 5.2 m-85 -112.17 -59.43 2.0 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.864 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.748 ' NH1' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.04 8.72 0.68 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.802 -179.084 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.673 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -147.21 15.42 1.16 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.791 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.2 m -152.9 -65.64 0.16 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.432 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.484 ' CZ ' ' HD2' ' A' ' 22' ' ' LYS . 14.3 m-85 -88.61 -38.13 15.08 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.086 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.675 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER -89.69 59.54 4.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.392 0.615 . . . . 0.0 110.293 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -82.73 15.43 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.72 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.502 ' N ' ' CD ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -146.51 -38.07 0.23 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.03 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.675 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -64.97 -67.49 0.43 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.553 -179.745 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 24' ' ' ARG . 1.3 m -63.28 13.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.438 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.636 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 46.97 38.37 10.38 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.1 t -93.97 2.46 56.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.568 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 44.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.447 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.4 OUTLIER -142.23 8.02 1.8 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.414 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.02 152.1 71.34 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.328 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.574 ' C ' ' H ' ' A' ' 10' ' ' SER . 34.0 Cg_endo -67.34 141.66 57.29 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.974 2.449 . . . . 0.0 111.952 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -63.25 5.03 0.17 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.707 -179.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.574 ' H ' ' C ' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -72.91 -25.27 61.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.869 179.455 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -92.33 -13.01 30.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.318 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 t -80.69 96.48 6.91 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.801 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.611 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.3 p -105.09 159.93 15.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.625 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.27 11.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.961 0.41 . . . . 0.0 110.592 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.64 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -122.96 -27.76 4.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.351 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.483 ' NE2' ' OG ' ' A' ' 20' ' ' SER . 2.5 mm-40 -71.28 -40.93 70.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.971 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.442 ' SG ' ' CG ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -82.39 8.85 10.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.266 179.87 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HB3' ' ND1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -114.93 -28.07 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.417 179.55 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.697 ' HD1' ' N ' ' A' ' 19' ' ' HIS . 0.3 OUTLIER -108.43 -30.25 8.39 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.387 -179.793 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.483 ' OG ' ' NE2' ' A' ' 16' ' ' GLN . 1.3 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.642 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.124 0 CA-C-O 120.947 0.403 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.495 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 3.7 m-85 -102.38 -33.28 9.62 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 5.6 mtm180 -82.87 10.53 7.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.395 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -176.12 43.46 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.09 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.24 -66.01 0.06 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.32 0.581 . . . . 0.0 110.467 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -100.91 -62.21 1.27 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.356 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.495 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 65.8 m -82.13 47.35 1.11 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.405 178.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.488 HH21 ' CB ' ' A' ' 35' ' ' CYS . 0.8 OUTLIER -78.18 11.5 2.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.953 -179.084 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.486 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -131.85 -38.18 1.14 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.078 0.466 . . . . 0.0 109.835 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.524 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -63.32 -46.36 87.01 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.504 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.441 ' SG ' ' HG2' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -74.95 10.87 1.26 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.378 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 44.73 42.0 7.4 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.485 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 5.7 t -94.26 -31.07 14.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.977 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.488 ' CB ' HH21 ' A' ' 29' ' ' ARG . 13.4 t . . . . . 0 C--N 1.331 -0.238 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.458 ' CB ' ' HA ' ' A' ' 27' ' ' PHE . 2.8 t70 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 121.591 0.71 . . . . 0.0 112.572 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 p -87.61 24.56 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.772 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.47 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 9.0 tt -103.35 123.84 40.25 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.188 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 10' ' ' SER . 68.1 Cg_endo -79.11 138.03 14.05 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.423 2.082 . . . . 0.0 110.949 178.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.22 -17.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.167 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 8' ' ' PRO . 2.9 t -82.06 22.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.192 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -133.42 -11.61 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.33 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.86 99.84 10.68 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.537 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.59 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.4 p -114.8 163.62 15.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.3 0.94 0.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.508 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.59 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -109.79 -37.11 5.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.066 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.469 ' HG3' ' HG ' ' A' ' 20' ' ' SER . 1.4 tp60 -74.61 -46.82 35.96 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.81 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 8.63 1.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.366 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 16' ' ' GLN . 2.0 tttp -122.18 -37.25 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.652 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.534 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 3.1 m80 -88.02 -60.3 2.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.299 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.677 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 92.8 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.94 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.645 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.677 ' CD1' ' OG ' ' A' ' 20' ' ' SER . 23.2 m-85 -70.98 -39.08 72.69 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.92 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -69.81 -14.04 62.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.552 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.58 44.92 0.46 Allowed 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.295 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.698 ' OG ' ' CD2' ' A' ' 27' ' ' PHE . 3.1 p -160.28 -64.77 0.07 Allowed 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.298 0.571 . . . . 0.0 110.453 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.698 ' CD2' ' OG ' ' A' ' 26' ' ' SER . 96.3 m-85 -90.16 -53.98 4.23 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.706 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.43 ' O ' ' CG2' ' A' ' 34' ' ' THR . 73.0 m -90.26 65.61 6.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.244 0.545 . . . . 0.0 110.232 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 mmm-85 -77.75 15.56 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.178 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HD2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -153.24 -36.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.999 -179.731 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.585 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -60.69 -60.61 3.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.153 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 5.71 0.22 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.948 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.585 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 59.11 27.29 62.34 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -74.06 -21.88 59.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.825 0.345 . . . . 0.0 110.41 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.468 179.58 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 1.6 p30 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 121.081 0.467 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -142.03 10.79 1.97 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.786 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.467 HG22 ' CD1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -140.73 159.6 61.96 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.461 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.592 ' C ' ' H ' ' A' ' 10' ' ' SER . 12.0 Cg_endo -58.75 100.26 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.743 2.295 . . . . 0.0 112.182 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.599 ' CB ' ' HZ2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -45.23 -9.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.962 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.592 ' H ' ' C ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -73.52 0.75 11.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.844 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.85 -0.44 19.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' SG ' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -75.0 83.14 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.186 179.576 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.61 ' C ' ' H ' ' A' ' 15' ' ' PHE . 16.0 p -84.77 155.22 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.585 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.16 4.95 0.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.064 0.459 . . . . 0.0 109.887 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.61 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -113.44 -29.55 7.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.641 -179.649 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.47 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 22.8 mm-40 -75.25 -38.58 60.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.372 . . . . 0.0 110.459 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.8 t -81.36 20.73 0.83 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.643 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -138.52 -36.16 0.58 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.995 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.609 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 5.9 m80 -96.97 -29.39 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.767 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 121.068 0.461 . . . . 0.0 110.36 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CD2' ' HB3' ' A' ' 16' ' ' GLN . 1.1 m-85 -121.95 -43.04 2.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.427 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 34' ' ' THR . 23.1 mtm180 -70.41 -9.81 57.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.972 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.45 ' HA ' ' HE ' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -161.3 45.14 0.17 Allowed 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.231 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.22 -58.84 0.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.535 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 3.6 m-85 -100.12 -59.75 1.65 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.19 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.674 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 1.7 m -91.04 62.05 4.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.45 ' HE ' ' HA ' ' A' ' 25' ' ' LEU . 2.1 mmp_? -66.97 6.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.548 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -153.25 -41.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.947 -179.409 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.674 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -46.49 -50.97 16.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.392 -179.779 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 60.8 m -79.58 19.23 0.65 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.257 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 52.29 36.83 46.42 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.567 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -78.22 -47.85 17.09 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.922 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.529 ' C ' ' O ' ' A' ' 34' ' ' THR . 3.2 t . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.612 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.199 0.523 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.478 ' C ' ' CG2' ' A' ' 7' ' ' ILE . 41.3 p -136.32 6.34 3.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.556 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.478 ' CG2' ' C ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -153.59 157.09 32.73 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.434 -178.426 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.656 ' C ' ' H ' ' A' ' 10' ' ' SER . 42.4 Cg_endo -74.39 155.06 46.01 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.403 2.069 . . . . 0.0 111.137 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -0.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.744 0.307 . . . . 0.0 111.105 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.656 ' H ' ' C ' ' A' ' 8' ' ' PRO . 13.6 t -80.92 -5.36 57.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.43 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.48 -2.49 16.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.34 96.81 7.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.532 ' C ' ' H ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -101.98 159.47 15.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.391 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.41 1.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.358 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.532 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -106.89 -30.81 8.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.365 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.525 ' H ' ' HG1' ' A' ' 13' ' ' THR . 4.5 mm-40 -83.33 -37.74 23.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.438 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 44.6 t -76.63 21.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.543 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 16' ' ' GLN . 5.8 tmtm? -139.1 -35.57 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.639 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.497 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 3.9 m80 -98.8 -41.17 7.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.584 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.477 ' OG ' ' NE2' ' A' ' 16' ' ' GLN . 75.7 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.518 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.895 0.379 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.523 ' CZ ' ' OE1' ' A' ' 16' ' ' GLN . 3.5 m-85 -127.78 -47.52 1.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.48 ' O ' ' OG1' ' A' ' 34' ' ' THR . 0.0 OUTLIER -73.24 9.46 1.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.41 179.796 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.7 pp -162.41 29.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -160.53 -62.91 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.729 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -81.53 -46.13 14.92 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.559 ' C ' ' H ' ' A' ' 30' ' ' LYS . 2.1 m -112.55 53.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.316 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.683 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -72.3 34.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.386 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.587 ' HZ1' ' HG1' ' A' ' 31' ' ' THR . 2.4 pptp? -175.19 -47.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.314 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.587 ' HG1' ' HZ1' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -50.2 -30.61 11.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.281 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.9 m -102.43 19.28 19.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.221 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.83 38.19 59.13 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -91.86 -51.86 5.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.65 0.262 . . . . 0.0 110.662 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.591 ' O ' ' O ' ' A' ' 29' ' ' ARG . 22.6 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.648 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.461 0.116 0 CA-C-O 120.771 0.32 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.81 7.76 2.09 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.435 ' CG1' ' HB3' ' A' ' 27' ' ' PHE . 1.8 pp -137.6 150.24 67.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.397 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -52.53 143.59 44.88 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.658 2.239 . . . . 0.0 111.952 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.45 ' C ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -67.43 -26.02 66.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.484 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.7 p -48.99 -42.56 38.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.051 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.618 HH11 ' CG ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -76.72 3.47 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.558 -179.797 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.7 t -101.28 94.54 5.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.854 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.646 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.8 p -107.65 149.45 28.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.329 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.31 -3.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.049 0.452 . . . . 0.0 110.206 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.646 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -96.11 -39.78 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.036 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.576 ' OE1' ' CZ ' ' A' ' 15' ' ' PHE . 13.7 mm100 -72.08 -33.3 67.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.307 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.675 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 1.9 t -74.18 1.79 10.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.518 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -121.0 -38.26 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.568 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.461 ' HD1' ' N ' ' A' ' 19' ' ' HIS . 2.8 m80 -85.0 -12.36 53.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.809 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.568 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 14.6 m . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.707 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.525 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.154 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.653 ' O ' ' N ' ' A' ' 28' ' ' CYS . 10.6 m-85 -124.1 -47.87 1.88 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.997 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.439 ' HG2' ' SG ' ' A' ' 17' ' ' CYS . 71.4 mtm-85 -67.38 -22.62 65.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.627 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.6 38.66 2.65 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.777 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -160.34 -69.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.176 0.512 . . . . 0.0 110.569 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.525 ' CD2' ' O ' ' A' ' 22' ' ' LYS . 2.3 m-85 -93.16 -54.38 3.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.347 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.653 ' N ' ' O ' ' A' ' 23' ' ' TYR . 77.0 m -95.4 50.76 1.26 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.877 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.757 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -79.84 18.08 0.85 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.626 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 31' ' ' THR . 14.9 pttm -149.67 -47.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.105 0.479 . . . . 0.0 111.128 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.596 ' C ' ' H ' ' A' ' 33' ' ' GLY . 1.1 m -47.12 -55.88 7.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.337 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.72 18.43 0.08 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.008 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.596 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 48.33 40.33 22.52 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' A' ' 24' ' ' ARG . 8.5 t -87.94 -40.04 14.25 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.318 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 1.1 t . . . . . 0 C--N 1.331 -0.228 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.614 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -152.76 -160.73 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.405 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.4 -153.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.493 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.5 m -86.58 109.21 18.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.311 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -157.67 141.56 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.459 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.566 ' OD1' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -85.56 173.4 10.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.072 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.2 p -116.53 -11.57 11.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.486 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.9 146.79 36.86 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.435 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.546 ' O ' ' N ' ' A' ' 10' ' ' SER . 51.6 Cg_exo -44.48 106.55 0.08 OUTLIER 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.544 2.163 . . . . 0.0 111.956 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -37.84 -26.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.427 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 8' ' ' PRO . 10.5 t -63.21 2.16 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.118 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.494 ' H ' ' C ' ' A' ' 9' ' ' LYS . 11.7 mmt180 -100.35 -26.72 13.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.48 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.0 t -73.32 97.38 2.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.376 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.497 ' HG1' ' H ' ' A' ' 16' ' ' GLN . 2.3 p -103.93 160.35 14.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.769 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.94 -9.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.071 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -91.78 -38.91 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.018 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.497 ' H ' ' HG1' ' A' ' 13' ' ' THR . 0.9 OUTLIER -71.5 -33.28 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.165 179.611 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.508 ' SG ' ' CG ' ' A' ' 24' ' ' ARG . 16.5 t -79.57 7.52 8.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.699 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -128.84 -34.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.516 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.505 ' HD1' ' N ' ' A' ' 19' ' ' HIS . 2.2 m80 -98.43 -37.3 9.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.652 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.483 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 5.9 p -102.87 113.1 26.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.364 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.515 ' C ' ' N ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.599 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -47.89 -18.32 0.16 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.994 0.426 . . . . 0.0 110.188 179.757 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.645 ' O ' ' CB ' ' A' ' 28' ' ' CYS . 3.8 m-85 -78.99 -41.02 30.04 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.295 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.508 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 2.5 mtp180 -80.87 7.13 11.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.417 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.634 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -161.72 29.17 0.13 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.115 -0.634 . . . . 0.0 111.944 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.599 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -158.35 -57.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.666 179.085 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.566 ' O ' ' OD1' ' A' ' 5' ' ' ASP . 39.5 m-85 -101.44 -44.03 5.74 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.662 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.1 OUTLIER -93.16 66.72 4.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.088 0.471 . . . . 0.0 110.577 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.438 ' HA ' ' CG2' ' A' ' 34' ' ' THR . 0.1 OUTLIER -92.66 44.67 1.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.206 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 2.6 pptp? -177.36 -47.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.014 0.435 . . . . 0.0 110.79 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.662 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -59.22 -51.38 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.806 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 93.6 m -71.74 5.7 2.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.661 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 55.91 33.4 60.23 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.438 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 9.6 t -84.69 -11.97 54.8 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.607 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.51 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 43.4 t -99.6 50.2 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.368 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.636 0 O-C-N 120.521 -1.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . 0.577 ' OC ' ' CG ' ' A' ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.611 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -31.49 -94.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.572 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 1.8 t 152.65 78.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.918 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.541 ' SG ' ' O ' ' A' ' 29' ' ' ARG . 37.3 t -78.81 55.77 1.78 Allowed 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 121.294 0.568 . . . . 0.0 109.752 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.494 ' O ' ' O ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -134.4 143.06 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.285 -179.487 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -112.48 155.71 23.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.103 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.9 p -121.71 -20.76 6.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.264 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 pt -101.65 148.68 35.6 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.915 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.703 ' O ' ' N ' ' A' ' 10' ' ' SER . 37.4 Cg_endo -70.03 127.32 14.22 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.228 1.952 . . . . 0.0 111.61 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.623 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -29.12 -30.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.955 -179.741 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.703 ' N ' ' O ' ' A' ' 8' ' ' PRO . 8.1 t -54.39 -0.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.961 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.623 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -109.24 0.76 19.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.67 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -105.19 108.47 20.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.526 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.583 ' C ' ' H ' ' A' ' 15' ' ' PHE . 11.2 p -111.26 160.63 16.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.444 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.32 -0.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.667 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -104.71 -42.41 5.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.322 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.545 ' O ' ' OG ' ' A' ' 20' ' ' SER . 10.8 mm-40 -74.24 -53.09 10.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.372 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.674 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 5.2 t -64.09 5.31 0.25 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.802 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.545 ' H ' ' C ' ' A' ' 16' ' ' GLN . 4.9 ttmm -127.34 -39.25 1.89 Allowed 'General case' 1 C--O 1.567 17.797 1 CA-C-O 149.622 14.058 . . . . 0.0 111.028 -179.906 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.667 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 13.6 m80 -92.86 -23.47 18.79 Favored 'General case' 0 N--CA 1.449 -0.507 1 O-C-N 89.605 -20.684 . . . . 0.0 110.625 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.545 ' OG ' ' O ' ' A' ' 16' ' ' GLN . 63.9 p -107.15 119.28 38.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.934 0.397 . . . . 0.0 110.702 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.743 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -59.27 7.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.516 179.713 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.743 ' H ' ' C ' ' A' ' 21' ' ' NLE . 3.9 m-85 -106.17 -46.37 4.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.087 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.458 ' NH2' ' HG3' ' A' ' 21' ' ' NLE . 7.8 mtm180 -75.58 -4.26 38.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.228 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 pp -145.82 26.07 1.27 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.498 -0.481 . . . . 0.0 112.146 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.494 ' O ' ' O ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER -151.96 -63.24 0.17 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.966 0.412 . . . . 0.0 110.296 179.346 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.05 -52.04 4.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.172 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.698 ' N ' ' O ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -89.28 35.82 0.82 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.689 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -71.57 28.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.99 -179.362 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.541 ' H ' ' C ' ' A' ' 28' ' ' CYS . 1.4 pttp -162.31 -47.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.397 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.651 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -53.24 -54.37 37.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.629 -179.267 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.8 m -65.57 20.45 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.32 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.651 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 47.9 31.62 8.03 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -54.66 6.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.145 -0.527 . . . . 0.0 110.97 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -69.86 3.16 2.78 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.655 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.396 0 O-C-N 119.94 -1.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . 0.411 ' HD2' ' H3N' ' A' ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -85.67 -92.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.694 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.72 18.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.587 ' SG ' ' CZ ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -95.6 77.26 3.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.135 0.493 . . . . 0.0 110.82 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.594 ' O ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -158.14 132.3 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.834 179.367 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.625 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.2 OUTLIER -110.43 149.12 30.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.068 0.461 . . . . 0.0 111.643 -179.114 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 5' ' ' ASP . 46.3 p -159.82 32.58 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.035 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.573 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -122.53 122.87 27.18 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.434 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.652 ' O ' ' N ' ' A' ' 10' ' ' SER . 50.0 Cg_exo -41.99 93.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 121.979 1.786 . . . . 0.0 111.495 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.644 ' C ' ' H ' ' A' ' 11' ' ' ARG . 1.4 mttt -21.97 -41.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.363 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.652 ' N ' ' O ' ' A' ' 8' ' ' PRO . 7.9 t -67.39 27.17 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.789 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.644 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.29 -25.34 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.692 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.0 t -76.58 100.35 5.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.533 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.526 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.7 p -105.52 150.83 24.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.59 -10.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.049 0.452 . . . . 0.0 110.018 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.774 ' CE2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -91.81 -36.65 13.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.382 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.774 ' NE2' ' CE2' ' A' ' 15' ' ' PHE . 1.1 tp-100 -79.07 -34.46 43.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.538 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -78.55 23.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' A' ' 16' ' ' GLN . 24.2 tttm -146.83 -35.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.587 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 1.7 m80 -84.87 -41.89 15.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.75 119.22 38.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.637 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.727 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.91 5.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.392 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.727 ' H ' ' C ' ' A' ' 21' ' ' NLE . 4.1 m-85 -104.36 -45.03 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.203 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.578 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -84.05 9.55 12.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.419 179.308 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.5 mt -140.27 11.2 2.35 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.594 ' O ' ' O ' ' A' ' 4' ' ' ILE . 44.4 m -160.17 -56.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.9 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -89.89 -56.62 3.16 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.469 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.705 ' N ' ' O ' ' A' ' 23' ' ' TYR . 47.3 m -91.81 36.73 0.96 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.587 ' CZ ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -62.52 9.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.413 -179.289 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.592 ' H ' ' C ' ' A' ' 28' ' ' CYS . 12.4 pttm -139.82 -44.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.169 0.509 . . . . 0.0 110.37 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.53 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -47.94 -55.89 8.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.771 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 33' ' ' GLY . 4.0 m -76.68 21.79 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.473 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.53 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 38.57 44.19 1.72 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.578 ' CG2' ' O ' ' A' ' 24' ' ' ARG . 9.0 t -90.89 -35.73 14.58 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.453 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.6 t -132.48 125.71 31.3 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.525 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.974 -1.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.615 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 179.81 -68.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.479 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 1.8 p 151.8 57.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.464 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.648 ' C ' ' NH1' ' A' ' 29' ' ' ARG . 3.7 m -134.83 80.74 1.86 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.954 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.641 ' N ' ' NH1' ' A' ' 29' ' ' ARG . 1.4 pt -167.6 118.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.391 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -109.74 168.88 9.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.528 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.2 t -145.3 8.42 1.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.825 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.418 ' CG1' ' HB3' ' A' ' 27' ' ' PHE . 1.2 pt -133.85 150.49 74.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.548 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' SER . 46.1 Cg_endo -70.64 140.21 38.85 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.796 2.331 . . . . 0.0 112.104 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.644 ' C ' ' H ' ' A' ' 11' ' ' ARG . 5.1 mtmt -46.37 -16.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.942 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' PRO . 58.4 m -58.22 4.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.737 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.644 ' H ' ' C ' ' A' ' 9' ' ' LYS . 9.4 mtt85 -127.57 2.61 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.5 104.73 16.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.259 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.607 ' C ' ' H ' ' A' ' 15' ' ' PHE . 2.2 p -116.64 163.36 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.739 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.83 10.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.156 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.607 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -118.3 -23.41 7.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.253 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.607 ' OE1' ' CZ ' ' A' ' 23' ' ' TYR . 36.9 mm-40 -86.47 -46.59 10.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.943 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -60.57 0.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.039 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.517 ' H ' ' C ' ' A' ' 16' ' ' GLN . 29.0 ttmt -125.14 -38.2 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.634 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.588 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.7 m80 -84.45 -46.15 11.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.357 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.675 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 78.8 p -89.47 117.54 28.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.12 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.673 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.668 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -70.16 37.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.313 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.675 ' CD1' ' OG ' ' A' ' 20' ' ' SER . 11.1 m-85 -127.45 -50.08 1.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 6.3 mtm-85 -78.48 17.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.377 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -173.7 35.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.63 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.585 ' O ' ' O ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -160.58 -67.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.092 0.473 . . . . 0.0 110.134 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.668 ' CD2' ' O ' ' A' ' 22' ' ' LYS . 1.8 m-85 -100.58 -56.61 2.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.36 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.517 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER -88.97 56.21 3.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.205 0.526 . . . . 0.0 110.198 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.677 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -93.44 28.89 2.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.452 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -151.51 -35.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.95 179.627 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.517 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -68.07 -44.92 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.699 179.382 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -2.59 37.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.136 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.73 31.42 78.35 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.67 -12.18 60.01 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.641 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 43.2 t -153.77 11.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.671 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.997 -1.689 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . 0.716 ' C1 ' ' H1N' ' A' ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.459 ' NE ' ' O ' ' A' ' 0' ' ' PFX . 1.6 mmp_? -140.21 -150.5 0.32 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.057 0.456 . . . . 0.0 110.962 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.29 29.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.481 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.692 ' C ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -81.59 108.75 15.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.204 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.625 ' CA ' HH11 ' A' ' 29' ' ' ARG . 0.0 OUTLIER -152.64 131.38 2.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.152 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.611 ' OD1' ' O ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -108.47 176.3 5.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.478 0.656 . . . . 0.0 111.428 -179.572 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.1 p -143.48 15.1 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.626 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.471 HG22 HD12 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -146.75 158.41 45.94 Favored Pre-proline 0 N--CA 1.456 -0.166 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.859 -179.446 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.468 ' C ' ' H ' ' A' ' 10' ' ' SER . 50.8 Cg_endo -73.39 144.37 36.44 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 122.795 2.33 . . . . 0.0 111.457 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -53.36 -10.41 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.55 -179.73 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.468 ' H ' ' C ' ' A' ' 8' ' ' PRO . 74.8 p -71.78 8.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.432 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -126.98 -3.78 6.38 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.843 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 27' ' ' PHE . 11.5 m -106.72 85.94 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.838 0.351 . . . . 0.0 110.448 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.641 ' C ' ' H ' ' A' ' 15' ' ' PHE . 4.5 p -87.94 164.24 15.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.688 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.71 13.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.641 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -127.27 -45.03 1.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.244 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.451 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 6.3 tp60 -58.14 -34.22 70.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.974 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.65 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 7.6 p -96.35 16.76 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.453 ' HB3' ' HD1' ' A' ' 19' ' ' HIS . 12.3 tttm -118.0 -26.08 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.357 . . . . 0.0 110.695 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.623 ' HD1' ' N ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -107.0 -38.98 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.71 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -95.69 130.09 42.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.603 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.49 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.33 -2.93 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 110.49 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.702 ' O ' ' N ' ' A' ' 28' ' ' CYS . 13.1 m-85 -103.61 -23.73 13.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.096 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' NH1' ' HA ' ' A' ' 21' ' ' NLE . 7.2 mtm105 -89.71 -20.32 23.74 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.328 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.427 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 1.2 pp -128.86 26.92 5.5 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.147 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.611 ' O ' ' OD1' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -157.47 -54.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.583 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.61 ' O ' ' OD2' ' A' ' 5' ' ' ASP . 3.8 m-85 -100.35 -21.5 15.4 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.693 -0.403 . . . . 0.0 112.061 -178.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.702 ' N ' ' O ' ' A' ' 23' ' ' TYR . 1.8 m -130.61 51.06 2.15 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.414 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.692 ' NH1' ' C ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -77.4 39.1 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.836 179.665 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.502 ' HB3' HH21 ' A' ' 29' ' ' ARG . 0.0 OUTLIER -172.77 -44.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.684 -179.372 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.665 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -58.46 -61.22 2.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.637 -179.618 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.65 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -63.83 11.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.948 0.404 . . . . 0.0 110.213 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.665 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 54.41 31.75 51.52 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 24' ' ' ARG . 9.8 t -76.17 -33.34 59.35 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.519 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.649 ' SG ' ' N ' ' A' ' 36' ' ' NH2 . 2.5 t -110.64 167.05 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.445 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . 0.649 ' N ' ' SG ' ' A' ' 35' ' ' CYS . . . . . . . . 0 C--N 1.306 -1.29 0 O-C-N 119.951 -1.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 51.79 -125.08 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.44 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.4 p -138.15 142.23 40.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.682 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.622 ' SG ' ' C ' ' A' ' 35' ' ' CYS . 19.8 m -98.33 110.72 23.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.273 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -157.12 143.17 9.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.464 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.677 ' OD2' ' NZ ' ' A' ' 30' ' ' LYS . 1.9 p-10 -120.93 171.37 8.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.384 0.611 . . . . 0.0 111.625 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.2 p -138.09 20.25 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.12 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.45 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -117.18 128.89 25.71 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.65 -178.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.697 ' O ' ' N ' ' A' ' 10' ' ' SER . 15.6 Cg_endo -62.8 114.69 2.52 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 121.631 1.554 . . . . 0.0 111.303 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' A' ' 11' ' ' ARG . 43.7 pttt -33.96 -23.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.697 ' N ' ' O ' ' A' ' 8' ' ' PRO . 1.2 p -70.33 12.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.693 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.523 ' H ' ' C ' ' A' ' 9' ' ' LYS . 7.5 mtm-85 -126.57 -20.61 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.69 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.433 ' SG ' HD12 ' A' ' 7' ' ' ILE . 77.8 m -87.26 78.83 8.71 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.45 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -90.62 158.86 16.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 -179.381 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.07 -8.66 0.69 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.312 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.653 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -94.73 -33.52 12.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.868 179.829 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.61 ' NE2' ' CZ ' ' A' ' 23' ' ' TYR . 8.0 mm100 -86.41 -30.7 21.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.989 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.77 14.48 1.06 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.788 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.56 ' O ' ' NH2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -139.47 -33.06 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.806 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.653 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 1.9 m80 -82.88 -56.78 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.2 m -96.74 108.74 21.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.052 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.685 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.588 ' O ' ' OG ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -40.34 -15.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.395 179.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.685 ' H ' ' C ' ' A' ' 21' ' ' NLE . 3.8 m-85 -81.79 -47.81 12.39 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.871 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -77.08 24.69 0.16 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.299 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.88 32.44 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.166 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.588 ' OG ' ' O ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -160.75 -70.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.422 0.63 . . . . 0.0 110.73 179.517 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.456 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 85.8 m-85 -86.27 -43.57 12.83 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.454 -178.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.43 ' C ' ' H ' ' A' ' 30' ' ' LYS . 3.9 m -101.43 64.52 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.12 0.486 . . . . 0.0 109.838 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' A' ' 35' ' ' CYS . 5.3 mtp180 -73.76 36.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.773 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.677 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -176.98 -45.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.282 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.533 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -58.8 -44.33 90.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.593 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.447 ' SG ' ' HB3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -74.1 4.68 5.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.501 179.056 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 55.4 37.14 65.03 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 35' ' ' CYS . 10.1 t -101.55 -36.95 8.6 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.138 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.622 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 40.2 t 31.16 -98.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.528 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' THR . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.997 -1.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -89.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.627 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.49 91.41 2.66 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.759 ' SG ' ' NH1' ' A' ' 29' ' ' ARG . 1.4 m -78.05 92.41 4.36 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.137 -179.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.855 ' N ' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -170.82 131.08 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.265 -179.49 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -83.13 169.94 15.3 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.629 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 t -138.39 -2.88 1.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.148 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.402 ' CG1' ' HB3' ' A' ' 27' ' ' PHE . 1.6 pp -130.03 146.64 62.29 Favored Pre-proline 0 C--N 1.33 -0.252 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.045 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.564 ' C ' ' H ' ' A' ' 10' ' ' SER . 52.0 Cg_exo -42.16 119.75 1.36 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.759 2.306 . . . . 0.0 112.353 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HB3' ' HZ1' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -61.45 1.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.311 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.564 ' H ' ' C ' ' A' ' 8' ' ' PRO . 5.4 t -71.73 -28.07 63.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.427 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -77.56 -2.69 36.93 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.252 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.29 102.27 4.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.934 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.667 ' C ' ' H ' ' A' ' 15' ' ' PHE . 2.9 p -124.6 158.43 33.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.413 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.91 12.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.014 0.435 . . . . 0.0 110.145 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.667 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -117.33 -25.81 6.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.141 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -81.52 -39.74 24.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -0.32 12.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.68 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HB3' ' HZ1' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -117.69 -43.99 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.02 0.438 . . . . 0.0 110.418 -179.682 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 16.6 m80 -83.4 -38.8 21.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.381 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.48 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 20.0 m -113.97 102.08 9.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.336 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.822 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -54.46 6.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.479 179.721 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.822 ' H ' ' C ' ' A' ' 21' ' ' NLE . 38.5 m-85 -104.46 -28.22 11.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.657 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.601 HH21 ' CD ' ' A' ' 21' ' ' NLE . 0.0 OUTLIER -97.16 5.86 49.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.442 ' CD2' ' NH1' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -157.59 27.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.074 179.722 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -160.43 -61.12 0.06 Allowed 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.236 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 2.2 m-85 -94.8 -67.18 0.87 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.245 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.59 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.5 OUTLIER -87.94 47.47 1.51 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.477 0.656 . . . . 0.0 110.364 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.855 ' NE ' ' N ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -81.1 31.53 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.189 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 31' ' ' THR . 8.4 pttm -151.46 -44.75 0.11 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.499 0.666 . . . . 0.0 109.753 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.59 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -71.39 -45.77 61.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.332 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.5 m -64.61 -6.61 8.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.267 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.99 24.15 62.36 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.601 ' OG1' ' O ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -78.65 -36.06 44.46 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.52 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.748 ' CB ' HH12 ' A' ' 29' ' ' ARG . 12.9 t -114.08 119.11 36.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.691 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.433 0 O-C-N 120.169 -1.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . 0.453 ' HNH' ' H1N' ' A' ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.589 ' O ' ' CD1' ' A' ' 4' ' ' ILE . 12.9 tpt85 -75.04 -35.97 61.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.35 -174.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.447 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 25.8 m -81.85 98.93 8.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.754 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.589 ' CD1' ' O ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER -150.8 150.76 13.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.3 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.566 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 13.0 p-10 -138.64 168.71 19.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.279 0.561 . . . . 0.0 111.246 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.7 p -119.47 20.17 12.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.129 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 9' ' ' LYS . 6.4 tt -90.83 133.73 31.76 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.563 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.876 ' O ' ' N ' ' A' ' 10' ' ' SER . 15.9 Cg_endo -65.74 66.16 0.4 Allowed 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.85 1.7 . . . . 0.0 110.754 178.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.68 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER 12.02 -59.23 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 O-C-N 124.673 1.233 . . . . 0.0 112.61 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.876 ' N ' ' O ' ' A' ' 8' ' ' PRO . 5.2 m -54.67 5.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.298 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.68 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -103.32 -26.59 12.88 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.485 -179.516 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.7 t -86.48 103.24 14.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 111.228 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.564 ' HG1' ' H ' ' A' ' 16' ' ' GLN . 3.3 p -115.41 155.68 26.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.432 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.72 -13.18 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.189 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.625 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -87.98 -42.84 12.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.551 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.564 ' H ' ' HG1' ' A' ' 13' ' ' THR . 1.0 OUTLIER -67.1 -44.54 79.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.573 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.446 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -62.89 -2.71 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.673 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 16' ' ' GLN . 60.4 mttt -114.04 -36.66 4.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.096 0.474 . . . . 0.0 110.02 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.6 m80 -91.37 -10.57 40.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.48 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.669 ' OG ' ' NZ ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -134.64 112.74 11.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.537 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.482 ' CD ' ' N ' ' A' ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.669 ' NZ ' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -66.86 -7.17 19.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.135 0.493 . . . . 0.0 110.216 179.506 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.448 ' CE2' HD13 ' A' ' 7' ' ' ILE . 5.6 m-85 -92.91 -39.18 11.3 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -68.13 -2.35 7.77 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.204 -179.631 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -166.86 39.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.949 -0.7 . . . . 0.0 112.01 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -160.78 -54.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.196 179.247 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -101.06 -27.94 12.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.526 ' C ' ' H ' ' A' ' 30' ' ' LYS . 28.2 m -110.57 61.62 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' HE ' ' HB3' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -72.61 25.74 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.526 ' H ' ' C ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -161.75 -37.05 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.881 0.372 . . . . 0.0 111.032 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.473 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -63.3 -44.21 95.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.917 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.86 18.14 15.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.202 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 42.64 35.91 2.21 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.558 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -85.17 4.51 34.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.721 0.296 . . . . 0.0 110.671 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 38.2 t -149.75 -17.62 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.458 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.106 -1.621 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.01 129.07 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.42 -10.63 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.415 . . . . 0.0 110.488 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.9 m -110.63 98.04 7.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.189 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.76 -163.16 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.127 0.489 . . . . 0.0 111.318 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.498 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 17.3 p-10 -161.29 166.97 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.42 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -134.31 -0.89 2.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.724 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.8 pt -147.09 148.08 31.09 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.338 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -42.32 135.15 4.41 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.637 2.225 . . . . 0.0 112.009 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.52 ' C ' ' H ' ' A' ' 11' ' ' ARG . 13.4 mtpp -56.16 -19.5 13.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.777 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 p -69.07 10.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.757 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.52 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -105.66 -29.95 9.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.774 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 t -69.22 98.59 1.05 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.813 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.66 ' C ' ' H ' ' A' ' 15' ' ' PHE . 7.3 p -113.67 145.01 41.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.205 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.82 -4.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.049 0.452 . . . . 0.0 110.022 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.66 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -102.58 -27.75 12.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.392 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.538 ' O ' ' OG ' ' A' ' 20' ' ' SER . 15.9 mm100 -84.17 -39.94 18.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.558 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.602 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -65.86 -0.05 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.987 0.422 . . . . 0.0 110.124 179.713 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -119.73 -40.05 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.378 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.591 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.4 m80 -87.1 -34.66 19.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.852 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.606 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 42.3 p -106.79 126.06 51.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.474 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.743 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -65.99 18.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.587 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.743 ' H ' ' C ' ' A' ' 21' ' ' NLE . 9.0 m-85 -110.2 -49.33 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.799 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.602 ' NH1' ' O ' ' A' ' 17' ' ' CYS . 19.3 mtm-85 -67.14 -5.74 14.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.536 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 pp -162.76 42.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.528 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -161.17 -58.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.934 179.35 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 1.9 m-85 -100.27 -43.33 6.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.071 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.9 m -99.37 66.91 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 110.033 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.514 ' HE ' ' HA ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -80.13 15.65 1.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.049 -179.417 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' HD2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -161.28 -34.65 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.871 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.503 ' H ' ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -65.36 -44.8 86.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.98 0.87 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.431 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.09 27.66 71.64 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.602 ' O ' ' O ' ' A' ' 35' ' ' CYS . 9.2 t -87.71 -44.81 10.89 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.446 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.602 ' O ' ' O ' ' A' ' 34' ' ' THR . 0.0 OUTLIER 23.86 -147.25 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.169 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.295 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . 0.649 ' H3N' ' CD2' ' A' ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 1' ' ' ARG . 0.0 OUTLIER -70.89 -167.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.703 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.73 23.87 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.237 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.8 m -135.95 105.05 5.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.201 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -157.95 135.78 2.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.841 0.353 . . . . 0.0 110.852 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -110.58 156.74 20.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.119 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.6 p -121.16 18.59 11.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.699 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.28 148.43 59.57 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.638 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -67.13 135.12 36.21 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.9 2.4 . . . . 0.0 112.197 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -15.02 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.707 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -53.51 -30.43 41.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.562 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.53 -18.72 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.416 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.78 90.05 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.475 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.507 ' HG1' ' H ' ' A' ' 15' ' ' PHE . 2.4 p -107.67 166.2 10.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.673 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.43 -6.53 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.88 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.507 ' H ' ' HG1' ' A' ' 13' ' ' THR . 0.0 OUTLIER -98.59 -49.5 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.044 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -62.61 -27.9 69.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.54 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.62 16.29 15.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.821 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -130.19 -34.17 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.315 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.416 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 7.6 m80 -93.58 -27.04 16.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.364 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.59 134.79 52.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.546 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.542 ' CD ' ' N ' ' A' ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.542 ' N ' ' CD ' ' A' ' 21' ' ' NLE . 0.1 OUTLIER -74.85 -6.49 49.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.806 0.336 . . . . 0.0 110.455 179.622 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -97.52 -32.92 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.544 ' O ' ' CD2' ' A' ' 25' ' ' LEU . 33.3 mtm180 -78.16 -12.8 60.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.487 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.574 ' C ' HH21 ' A' ' 29' ' ' ARG . 0.3 OUTLIER -148.91 37.99 0.81 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.833 -179.18 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -160.97 -51.94 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.7 179.598 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -101.44 -34.47 9.56 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.65 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.5 OUTLIER -111.18 67.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.015 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.574 HH21 ' C ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -85.26 43.21 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.115 179.25 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 31' ' ' THR . 6.8 pttm -170.32 -47.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.566 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.65 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -64.83 -55.26 20.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.203 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 9.51 0.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.86 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 50.44 30.22 18.71 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 109.766 -1.333 . . . . 0.0 109.766 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.413 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 8.8 t -86.99 -28.2 22.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.73 0.3 . . . . 0.0 110.789 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -130.39 -41.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.491 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.479 0 O-C-N 120.197 -1.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . 0.41 ' HD2' ' CO ' ' A' ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.763 ' NH2' HH12 ' A' ' 29' ' ' ARG . 0.9 OUTLIER -158.38 -144.25 0.12 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.477 -179.805 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.609 ' H ' ' CD ' ' A' ' 1' ' ' ARG . 1.5 p -158.75 77.05 0.75 Allowed 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.187 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.7 t -78.91 66.52 4.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.831 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.74 137.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.976 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 1.5 m-20 -102.82 174.72 5.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.187 0.518 . . . . 0.0 110.757 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.4 t -148.48 20.12 1.06 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.469 -0.787 . . . . 0.0 108.907 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.618 ' O ' ' N ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -109.9 125.47 31.08 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.797 -178.766 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.694 ' O ' ' N ' ' A' ' 10' ' ' SER . 73.6 Cg_exo -36.7 84.25 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.167 1.912 . . . . 0.0 111.821 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.651 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -18.91 -43.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.625 -179.53 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.694 ' N ' ' O ' ' A' ' 8' ' ' PRO . 40.7 t -66.94 27.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.867 0.365 . . . . 0.0 110.787 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.651 ' H ' ' C ' ' A' ' 9' ' ' LYS . 10.3 mmt180 -128.19 -24.97 3.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.538 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.5 t -72.1 87.2 1.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.901 0.382 . . . . 0.0 110.342 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.483 ' C ' ' H ' ' A' ' 15' ' ' PHE . 18.4 p -100.72 165.74 11.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.736 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.04 -1.03 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.113 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -101.55 -47.01 4.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.175 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.48 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -69.18 -33.6 73.62 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.397 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.666 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 20.8 t -83.21 12.61 5.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.867 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.11 -41.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.081 0.467 . . . . 0.0 110.484 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.484 ' HD1' ' N ' ' A' ' 19' ' ' HIS . 3.2 m80 -85.94 -23.14 27.07 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.941 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.483 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 22.3 m -114.47 132.03 56.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.271 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -57.32 -17.02 10.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.258 179.523 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.483 ' CD1' ' HB2' ' A' ' 20' ' ' SER . 14.6 m-85 -76.52 -56.12 4.91 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.229 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.732 ' CD ' ' H ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -59.2 -8.28 1.54 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.341 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.648 ' C ' HH11 ' A' ' 29' ' ' ARG . 1.4 pp -151.13 32.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.54 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -161.51 -57.08 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.546 -0.461 . . . . 0.0 111.337 179.079 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 3.2 m-30 -97.21 -15.68 20.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.06 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.464 ' C ' ' H ' ' A' ' 30' ' ' LYS . 89.7 m -130.49 58.23 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.248 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.763 HH12 ' NH2' ' A' ' 1' ' ' ARG . 5.9 mmm180 -77.54 33.87 0.17 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.516 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -178.66 -46.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.116 0.484 . . . . 0.0 110.68 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.574 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -43.9 -66.93 0.32 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.414 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 15.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.574 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 50.43 37.83 33.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -83.07 -34.07 26.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.693 0.283 . . . . 0.0 110.937 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.4 t -135.18 133.67 39.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.716 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.153 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . 0.423 ' CD2' ' H2N' ' A' ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.535 ' O ' ' OG ' ' A' ' 2' ' ' SER . 22.9 mmm180 -45.66 118.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.672 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.535 ' OG ' ' O ' ' A' ' 1' ' ' ARG . 3.8 m 173.12 31.66 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.757 ' SG ' ' NH2' ' A' ' 29' ' ' ARG . 2.6 m -115.34 90.92 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.207 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.444 ' CD1' ' C ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -140.54 155.21 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.454 -179.625 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -85.24 162.64 19.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.337 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.0 p -129.89 -3.91 4.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.883 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 pp -133.87 150.94 75.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.552 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -40.57 117.86 0.54 Allowed 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.747 2.298 . . . . 0.0 112.234 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.6 ' HZ3' ' HZ3' ' A' ' 30' ' ' LYS . 6.3 mttp -53.21 -19.53 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.707 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -15.68 63.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -89.63 -6.51 56.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.2 t -101.48 83.24 2.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.598 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.612 ' HG1' ' H ' ' A' ' 16' ' ' GLN . 2.0 p -88.46 161.9 16.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.727 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 -9.64 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.111 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.651 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -94.17 -39.71 10.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.073 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.612 ' H ' ' HG1' ' A' ' 13' ' ' THR . 0.8 OUTLIER -67.99 -29.97 69.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.237 179.559 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.424 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -71.85 4.31 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.64 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.04 -36.59 1.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.91 0.386 . . . . 0.0 110.184 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.476 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 5.8 m80 -86.61 -14.45 42.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.293 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.813 ' HG ' ' HZ2' ' A' ' 22' ' ' LYS . 5.7 t -134.15 120.75 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.401 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.718 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.813 ' HZ2' ' HG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -57.78 3.55 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.631 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.718 ' H ' ' C ' ' A' ' 21' ' ' NLE . 9.6 m-85 -104.36 -35.6 7.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' CD ' ' O ' ' A' ' 17' ' ' CYS . 11.9 mtm180 -83.17 -5.61 59.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.281 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 3.2 pp -153.15 37.37 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.311 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -160.43 -55.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.957 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 3.6 m-30 -100.0 -40.16 7.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.44 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 1.8 m -104.66 68.56 0.86 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.01 0.434 . . . . 0.0 110.004 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.757 ' NH2' ' SG ' ' A' ' 3' ' ' CYS . 3.3 mmm180 -80.31 -0.82 38.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.034 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.6 ' HZ3' ' HZ3' ' A' ' 9' ' ' LYS . 1.8 mtmm -138.48 -43.16 0.49 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.582 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -54.53 -57.42 11.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -179.598 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.31 15.79 0.11 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.582 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 42.47 42.48 4.54 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.433 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 11.1 t -92.03 -8.84 44.83 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.969 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 0.7 OUTLIER -141.27 140.74 33.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.448 179.513 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.065 -1.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . 0.559 ' O ' ' N ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 1' ' ' ARG . 9.0 ttm180 -58.7 76.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.19 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.642 ' O ' ' NE ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -125.21 27.97 6.48 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.751 -179.79 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m -96.01 70.17 2.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -140.8 125.9 18.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.935 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.536 ' OD2' ' NZ ' ' A' ' 30' ' ' LYS . 2.3 p30 -108.09 163.56 13.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.183 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.4 p -142.8 28.36 1.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.357 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.552 ' O ' ' N ' ' A' ' 9' ' ' LYS . 1.1 tt -131.79 129.45 21.97 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.81 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.712 ' O ' ' N ' ' A' ' 10' ' ' SER . 5.5 Cg_exo -49.56 85.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 121.475 1.45 . . . . 0.0 111.261 179.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.676 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -11.8 -50.29 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.794 -179.343 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.712 ' N ' ' O ' ' A' ' 8' ' ' PRO . 8.0 m -49.47 0.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.506 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.676 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -102.21 -18.04 15.68 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.017 -179.614 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.7 m -80.57 95.54 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 0.0 110.495 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.454 ' HG1' ' HB3' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -97.72 159.02 15.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.635 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.98 -13.78 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.058 0.456 . . . . 0.0 109.775 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.703 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -92.04 -40.86 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.489 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.558 ' C ' ' H ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -68.6 -31.98 71.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.309 0.576 . . . . 0.0 109.705 179.752 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.708 ' C ' HH11 ' A' ' 24' ' ' ARG . 3.4 m -71.22 25.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.559 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.829 ' N ' ' NH1' ' A' ' 24' ' ' ARG . 18.2 tttt -164.08 -18.53 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.656 0.614 . . . . 0.0 112.656 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.703 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.4 m80 -107.45 -12.87 15.22 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.728 ' C ' ' NH2' ' A' ' 24' ' ' ARG . 69.8 m -122.97 69.59 1.0 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.1 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.836 ' C ' HH21 ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.629 ' N ' ' O ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -70.98 32.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.049 -178.584 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.608 ' H ' ' C ' ' A' ' 21' ' ' NLE . 8.1 m-85 -120.01 -48.95 2.32 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.465 178.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.836 HH21 ' C ' ' A' ' 21' ' ' NLE . 3.9 mtm-85 -63.36 -25.32 68.24 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.05 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.43 51.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.948 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.46 -60.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.1 0.476 . . . . 0.0 109.934 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.477 ' CE2' ' CG ' ' A' ' 22' ' ' LYS . 8.2 m-85 -100.64 -54.99 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.78 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.482 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 3.2 m -92.24 68.87 5.12 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.268 0.556 . . . . 0.0 110.185 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.671 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -67.46 -4.7 12.08 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.364 -179.365 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.536 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -135.96 -46.44 0.65 Allowed 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.277 -179.382 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.687 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -50.32 -61.38 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.427 -178.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.482 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 97.5 m -53.19 -2.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.687 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 68.14 34.55 81.31 Favored Glycine 0 C--N 1.331 0.289 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.556 ' CG2' ' O ' ' A' ' 24' ' ' ARG . 8.1 t -91.14 -35.57 14.49 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.411 -0.515 . . . . 0.0 111.819 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.671 ' SG ' ' O ' ' A' ' 29' ' ' ARG . 0.8 OUTLIER -38.79 -41.09 0.69 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.149 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.481 0 O-C-N 120.252 -1.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 41.6 73.39 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.712 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -109.35 -0.3 19.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.196 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.629 ' SG ' ' O ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -108.1 97.78 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.334 -179.87 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.461 ' HA ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -159.95 127.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.906 0.384 . . . . 0.0 110.946 -179.792 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.472 ' C ' ' OD1' ' A' ' 5' ' ' ASP . 35.1 p30 -82.02 160.47 23.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.305 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.4 p -131.65 11.91 4.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.309 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.488 ' O ' ' CD1' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -131.2 150.4 76.4 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.378 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.69 ' O ' ' N ' ' A' ' 10' ' ' SER . 6.8 Cg_endo -54.6 105.45 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.747 2.298 . . . . 0.0 111.669 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.679 ' NZ ' ' HG1' ' A' ' 31' ' ' THR . 14.8 mtpp -33.35 -25.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.641 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.69 ' N ' ' O ' ' A' ' 8' ' ' PRO . 96.8 p -66.24 18.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.486 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.648 ' H ' ' C ' ' A' ' 9' ' ' LYS . 2.8 mmm-85 -118.7 -11.3 9.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.246 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.2 m -82.83 101.38 10.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.381 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.462 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.3 p -108.92 159.76 16.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.17 -7.62 0.87 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.073 0.463 . . . . 0.0 110.249 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.492 ' CE2' ' NE2' ' A' ' 16' ' ' GLN . 1.1 t80 -94.03 -32.94 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.331 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.56 ' OE1' ' CZ ' ' A' ' 23' ' ' TYR . 15.9 mm-40 -76.55 -41.01 48.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.8 t -73.7 0.85 11.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.374 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -120.01 -35.98 3.37 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.668 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.469 ' N ' ' ND1' ' A' ' 19' ' ' HIS . 6.1 m80 -105.23 -43.13 5.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.426 ' OG ' ' NE2' ' A' ' 16' ' ' GLN . 24.6 m -83.02 118.53 23.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.345 0.593 . . . . 0.0 110.208 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.59 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.5 pttm -61.1 -11.81 9.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.008 0.432 . . . . 0.0 110.405 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.653 ' O ' ' CB ' ' A' ' 28' ' ' CYS . 6.8 m-85 -82.78 -43.72 16.4 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.321 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' HG2' ' SG ' ' A' ' 32' ' ' CYS . 22.3 mtm-85 -73.73 10.41 1.13 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.956 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -170.17 31.86 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 120.074 -0.65 . . . . 0.0 112.41 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -159.92 -62.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.305 179.094 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.432 ' CD1' ' CG2' ' A' ' 7' ' ' ILE . 25.3 m-85 -100.04 -14.04 18.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.328 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.653 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -138.19 38.81 2.31 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.478 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.629 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -68.64 36.08 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.612 -178.722 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.585 ' CG ' ' N ' ' A' ' 31' ' ' THR . 2.5 pttp -166.69 -49.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.214 0.531 . . . . 0.0 110.555 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.679 ' HG1' ' NZ ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -51.73 -52.27 49.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.898 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.456 ' SG ' ' HG2' ' A' ' 24' ' ' ARG . 90.8 m -61.32 3.35 0.11 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.762 178.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.619 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 61.29 33.02 82.91 Favored Glycine 0 N--CA 1.462 0.397 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 -179.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 t -76.7 -48.97 17.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.667 0.27 . . . . 0.0 110.894 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -41.99 77.54 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.789 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.314 -1.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.3 mmm-85 48.85 77.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.622 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.39 -30.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.461 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.448 ' C ' ' CG1' ' A' ' 4' ' ' ILE . 2.0 t -86.81 87.52 7.47 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.006 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.581 ' O ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -154.17 144.25 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.055 0.455 . . . . 0.0 110.888 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -137.04 164.99 27.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.196 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -153.96 15.08 0.48 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -130.06 131.05 23.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.538 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -42.75 140.72 2.78 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.417 2.078 . . . . 0.0 112.031 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -62.13 -11.58 15.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.958 0.409 . . . . 0.0 110.205 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.42 -27.38 68.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.644 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -85.16 -19.48 31.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.642 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.12 92.99 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.25 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.467 ' C ' ' H ' ' A' ' 15' ' ' PHE . 7.3 p -110.98 169.25 8.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.74 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.63 -3.28 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.861 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.467 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -97.49 -48.15 5.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.861 179.616 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.561 ' OE1' ' CZ ' ' A' ' 23' ' ' TYR . 3.6 mm-40 -73.37 -34.94 65.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.123 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.652 ' C ' HH11 ' A' ' 24' ' ' ARG . 0.5 OUTLIER -86.52 19.05 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.44 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.748 ' N ' ' NH1' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -135.19 -36.1 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.399 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.674 ' C ' HH22 ' A' ' 24' ' ' ARG . 0.4 OUTLIER -97.7 -27.81 14.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.612 ' N ' HH12 ' A' ' 24' ' ' ARG . 0.2 OUTLIER -109.78 118.89 37.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.463 179.807 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.721 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.615 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -60.89 7.12 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.254 0.55 . . . . 0.0 110.239 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.721 ' H ' ' C ' ' A' ' 21' ' ' NLE . 5.2 m-85 -112.17 -59.43 2.0 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.864 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.748 ' NH1' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.04 8.72 0.68 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.802 -179.084 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.673 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -147.21 15.42 1.16 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.791 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.581 ' O ' ' O ' ' A' ' 4' ' ' ILE . 5.2 m -152.9 -65.64 0.16 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.432 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.484 ' CZ ' ' HD2' ' A' ' 22' ' ' LYS . 14.3 m-85 -88.61 -38.13 15.08 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.086 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.675 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER -89.69 59.54 4.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.392 0.615 . . . . 0.0 110.293 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -82.73 15.43 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.72 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.502 ' N ' ' CD ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -146.51 -38.07 0.23 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.03 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.675 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -64.97 -67.49 0.43 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.553 -179.745 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 24' ' ' ARG . 1.3 m -63.28 13.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.438 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.636 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 46.97 38.37 10.38 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.1 t -93.97 2.46 56.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.568 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 44.7 t -178.24 -1.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 O-C-N 120.028 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . 0.45 ' HNH' ' H3N' ' A' ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.622 ' C ' ' H ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -66.12 -161.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.466 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 66.17 -12.75 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.347 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.622 ' H ' ' C ' ' A' ' 1' ' ' ARG . 1.3 m -108.82 94.69 5.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.321 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.652 ' N ' ' CD ' ' A' ' 29' ' ' ARG . 5.6 pt -168.91 140.64 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.172 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -95.4 165.53 12.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.878 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.447 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.4 OUTLIER -142.23 8.02 1.8 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.414 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.02 152.1 71.34 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.328 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.574 ' C ' ' H ' ' A' ' 10' ' ' SER . 34.0 Cg_endo -67.34 141.66 57.29 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.974 2.449 . . . . 0.0 111.952 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -63.25 5.03 0.17 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.707 -179.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.574 ' H ' ' C ' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -72.91 -25.27 61.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.869 179.455 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -92.33 -13.01 30.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.318 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 t -80.69 96.48 6.91 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.801 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.611 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.3 p -105.09 159.93 15.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.625 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.27 11.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.961 0.41 . . . . 0.0 110.592 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.64 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -122.96 -27.76 4.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.351 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' NE2' ' OG ' ' A' ' 20' ' ' SER . 2.5 mm-40 -71.28 -40.93 70.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.971 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.442 ' SG ' ' CG ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -82.39 8.85 10.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.266 179.87 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HB3' ' ND1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -114.93 -28.07 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.417 179.55 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.697 ' HD1' ' N ' ' A' ' 19' ' ' HIS . 0.3 OUTLIER -108.43 -30.25 8.39 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.387 -179.793 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.483 ' OG ' ' NE2' ' A' ' 16' ' ' GLN . 1.3 m -105.67 115.68 30.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.642 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.735 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.63 -4.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.178 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.735 ' H ' ' C ' ' A' ' 21' ' ' NLE . 3.7 m-85 -102.38 -33.28 9.62 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' NLE . 5.6 mtm180 -82.87 10.53 7.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.395 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -176.12 43.46 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.09 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.24 -66.01 0.06 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.32 0.581 . . . . 0.0 110.467 179.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -100.91 -62.21 1.27 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.356 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.495 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 65.8 m -82.13 47.35 1.11 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.405 178.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.652 ' CD ' ' N ' ' A' ' 4' ' ' ILE . 0.8 OUTLIER -78.18 11.5 2.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.953 -179.084 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.486 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -131.85 -38.18 1.14 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.078 0.466 . . . . 0.0 109.835 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.524 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -63.32 -46.36 87.01 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.504 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.441 ' SG ' ' HG2' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -74.95 10.87 1.26 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.378 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 44.73 42.0 7.4 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.485 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 5.7 t -94.26 -31.07 14.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.977 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.488 ' CB ' HH21 ' A' ' 29' ' ' ARG . 13.4 t -125.33 31.35 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.577 0 O-C-N 120.245 -1.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . 0.449 ' H2N' ' HD2' ' A' ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 1' ' ' ARG . 3.4 mtp85 -84.07 -31.28 25.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.492 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.444 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.9 OUTLIER -58.98 -164.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.491 179.798 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.1 m -110.05 67.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.741 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -156.7 150.28 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.968 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.458 ' CB ' ' HA ' ' A' ' 27' ' ' PHE . 2.8 t70 -134.39 -177.69 4.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.591 0.71 . . . . 0.0 112.572 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 p -87.61 24.56 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.772 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.47 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 9.0 tt -103.35 123.84 40.25 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.188 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 10' ' ' SER . 68.1 Cg_endo -79.11 138.03 14.05 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.423 2.082 . . . . 0.0 110.949 178.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.22 -17.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.167 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 8' ' ' PRO . 2.9 t -82.06 22.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.192 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -133.42 -11.61 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.33 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.86 99.84 10.68 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.537 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.59 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.4 p -114.8 163.62 15.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.3 0.94 0.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.508 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.59 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -109.79 -37.11 5.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.066 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.469 ' HG3' ' HG ' ' A' ' 20' ' ' SER . 1.4 tp60 -74.61 -46.82 35.96 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.81 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 8.63 1.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.366 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 16' ' ' GLN . 2.0 tttp -122.18 -37.25 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.652 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.534 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 3.1 m80 -88.02 -60.3 2.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.299 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.677 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 92.8 p -82.47 89.79 6.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.94 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.674 ' O ' ' N ' ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.645 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -37.65 -27.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.007 -0.677 . . . . 0.0 109.794 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.677 ' CD1' ' OG ' ' A' ' 20' ' ' SER . 23.2 m-85 -70.98 -39.08 72.69 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.92 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.674 ' N ' ' O ' ' A' ' 21' ' ' NLE . 1.9 mtm180 -69.81 -14.04 62.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.552 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.58 44.92 0.46 Allowed 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.295 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.698 ' OG ' ' CD2' ' A' ' 27' ' ' PHE . 3.1 p -160.28 -64.77 0.07 Allowed 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.298 0.571 . . . . 0.0 110.453 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.698 ' CD2' ' OG ' ' A' ' 26' ' ' SER . 96.3 m-85 -90.16 -53.98 4.23 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.706 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.43 ' O ' ' CG2' ' A' ' 34' ' ' THR . 73.0 m -90.26 65.61 6.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.244 0.545 . . . . 0.0 110.232 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 mmm-85 -77.75 15.56 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.178 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HD2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -153.24 -36.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.999 -179.731 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.585 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -60.69 -60.61 3.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.153 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 5.71 0.22 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.948 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.585 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 59.11 27.29 62.34 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -74.06 -21.88 59.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.825 0.345 . . . . 0.0 110.41 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.2 t -157.86 132.84 8.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.468 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.068 -1.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . 0.536 ' O ' ' C ' ' A' ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.581 ' CA ' ' HE ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER 28.82 74.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.648 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -155.8 101.11 2.11 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.758 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -79.83 104.71 10.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.989 179.646 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.408 HD11 HG23 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -134.98 134.52 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 -179.283 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 1.6 p30 -87.22 174.51 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.8 t -142.03 10.79 1.97 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.786 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.467 HG22 ' CD1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -140.73 159.6 61.96 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.461 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.592 ' C ' ' H ' ' A' ' 10' ' ' SER . 12.0 Cg_endo -58.75 100.26 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.743 2.295 . . . . 0.0 112.182 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.599 ' CB ' ' HZ2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -45.23 -9.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.962 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.592 ' H ' ' C ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -73.52 0.75 11.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.844 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.85 -0.44 19.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' SG ' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -75.0 83.14 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.186 179.576 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.61 ' C ' ' H ' ' A' ' 15' ' ' PHE . 16.0 p -84.77 155.22 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.585 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.16 4.95 0.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.064 0.459 . . . . 0.0 109.887 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.61 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -113.44 -29.55 7.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.641 -179.649 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.47 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 22.8 mm-40 -75.25 -38.58 60.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.372 . . . . 0.0 110.459 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.8 t -81.36 20.73 0.83 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.643 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -138.52 -36.16 0.58 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.995 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.609 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 5.9 m80 -96.97 -29.39 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.56 136.25 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.767 179.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.772 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -67.3 25.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.36 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.772 ' H ' ' C ' ' A' ' 21' ' ' NLE . 1.1 m-85 -121.95 -43.04 2.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.427 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 34' ' ' THR . 23.1 mtm180 -70.41 -9.81 57.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.972 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.45 ' HA ' ' HE ' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -161.3 45.14 0.17 Allowed 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.231 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.22 -58.84 0.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.535 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 3.6 m-85 -100.12 -59.75 1.65 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.19 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.674 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 1.7 m -91.04 62.05 4.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.45 ' HE ' ' HA ' ' A' ' 25' ' ' LEU . 2.1 mmp_? -66.97 6.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.548 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -153.25 -41.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.947 -179.409 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.674 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -46.49 -50.97 16.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.392 -179.779 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 60.8 m -79.58 19.23 0.65 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.257 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 52.29 36.83 46.42 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.567 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -78.22 -47.85 17.09 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.922 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.529 ' C ' ' O ' ' A' ' 34' ' ' THR . 3.2 t -29.14 -74.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.612 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.503 0 O-C-N 120.123 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.62 -41.65 5.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.153 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.662 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 p -88.52 36.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.053 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.662 ' SG ' ' O ' ' A' ' 2' ' ' SER . 87.5 m -160.66 71.64 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.906 0.384 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.486 ' N ' ' HG2' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -152.55 129.44 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.184 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.11 157.5 17.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.199 0.523 . . . . 0.0 110.591 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.478 ' C ' ' CG2' ' A' ' 7' ' ' ILE . 41.3 p -136.32 6.34 3.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.556 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.478 ' CG2' ' C ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -153.59 157.09 32.73 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.434 -178.426 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.656 ' C ' ' H ' ' A' ' 10' ' ' SER . 42.4 Cg_endo -74.39 155.06 46.01 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.403 2.069 . . . . 0.0 111.137 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -0.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.744 0.307 . . . . 0.0 111.105 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.656 ' H ' ' C ' ' A' ' 8' ' ' PRO . 13.6 t -80.92 -5.36 57.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.43 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.48 -2.49 16.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.34 96.81 7.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.532 ' C ' ' H ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -101.98 159.47 15.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.391 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.41 1.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.358 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -106.89 -30.81 8.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.365 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.525 ' H ' ' HG1' ' A' ' 13' ' ' THR . 4.5 mm-40 -83.33 -37.74 23.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.438 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 44.6 t -76.63 21.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.543 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 16' ' ' GLN . 5.8 tmtm? -139.1 -35.57 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.639 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.497 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 3.9 m80 -98.8 -41.17 7.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.584 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.477 ' OG ' ' NE2' ' A' ' 16' ' ' GLN . 75.7 m -85.63 119.95 26.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.518 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.712 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -68.38 30.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.49 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.712 ' H ' ' C ' ' A' ' 21' ' ' NLE . 3.5 m-85 -127.78 -47.52 1.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' NH2' ' CD ' ' A' ' 21' ' ' NLE . 0.0 OUTLIER -73.24 9.46 1.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.41 179.796 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.7 pp -162.41 29.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.471 ' O ' ' O ' ' A' ' 4' ' ' ILE . 3.2 m -160.53 -62.91 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.729 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -81.53 -46.13 14.92 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.559 ' C ' ' H ' ' A' ' 30' ' ' LYS . 2.1 m -112.55 53.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.316 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.683 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -72.3 34.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.386 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.587 ' HZ1' ' HG1' ' A' ' 31' ' ' THR . 2.4 pptp? -175.19 -47.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.314 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.587 ' HG1' ' HZ1' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -50.2 -30.61 11.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.281 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.9 m -102.43 19.28 19.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.221 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.83 38.19 59.13 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -91.86 -51.86 5.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.65 0.262 . . . . 0.0 110.662 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.591 ' O ' ' O ' ' A' ' 29' ' ' ARG . 22.6 t -131.15 96.3 4.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.648 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.474 0 O-C-N 120.086 -1.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.2 mtm-85 -87.42 158.2 19.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.704 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p 179.44 47.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.276 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.421 ' C ' ' CD1' ' A' ' 4' ' ' ILE . 0.1 OUTLIER -149.67 23.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.656 -179.713 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.505 ' O ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -137.91 141.57 38.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.904 0.383 . . . . 0.0 110.664 -179.811 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -113.77 164.5 13.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.662 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.81 7.76 2.09 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.435 ' CG1' ' HB3' ' A' ' 27' ' ' PHE . 1.8 pp -137.6 150.24 67.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.397 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -52.53 143.59 44.88 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.658 2.239 . . . . 0.0 111.952 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' C ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -67.43 -26.02 66.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.484 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.7 p -48.99 -42.56 38.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.051 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.618 HH11 ' CG ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -76.72 3.47 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.558 -179.797 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.7 t -101.28 94.54 5.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.854 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.646 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.8 p -107.65 149.45 28.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.329 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.31 -3.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.049 0.452 . . . . 0.0 110.206 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.646 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -96.11 -39.78 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.036 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.576 ' OE1' ' CZ ' ' A' ' 15' ' ' PHE . 13.7 mm100 -72.08 -33.3 67.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.307 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.675 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 1.9 t -74.18 1.79 10.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.518 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -121.0 -38.26 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.568 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.461 ' HD1' ' N ' ' A' ' 19' ' ' HIS . 2.8 m80 -85.0 -12.36 53.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.809 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.568 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 14.6 m -119.03 150.71 39.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.707 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' NLE . . . . . 0.425 ' HD3' HH22 ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.525 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -94.46 37.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.105 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.653 ' O ' ' N ' ' A' ' 28' ' ' CYS . 10.6 m-85 -124.1 -47.87 1.88 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.997 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.439 ' HG2' ' SG ' ' A' ' 17' ' ' CYS . 71.4 mtm-85 -67.38 -22.62 65.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.627 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.6 38.66 2.65 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.777 -178.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.505 ' O ' ' O ' ' A' ' 4' ' ' ILE . 1.3 m -160.34 -69.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.176 0.512 . . . . 0.0 110.569 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.525 ' CD2' ' O ' ' A' ' 22' ' ' LYS . 2.3 m-85 -93.16 -54.38 3.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.347 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.653 ' N ' ' O ' ' A' ' 23' ' ' TYR . 77.0 m -95.4 50.76 1.26 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.877 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.757 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -79.84 18.08 0.85 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.626 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 31' ' ' THR . 14.9 pttm -149.67 -47.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.105 0.479 . . . . 0.0 111.128 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.596 ' C ' ' H ' ' A' ' 33' ' ' GLY . 1.1 m -47.12 -55.88 7.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.337 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.72 18.43 0.08 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.008 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.596 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 48.33 40.33 22.52 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' A' ' 24' ' ' ARG . 8.5 t -87.94 -40.04 14.25 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.318 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 1.1 t -112.98 -173.08 2.18 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.614 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 120.028 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.566 ' OD1' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 121.101 0.477 . . . . 0.0 111.072 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.2 p -116.53 -11.57 11.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.486 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.9 146.79 36.86 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.435 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.546 ' O ' ' N ' ' A' ' 10' ' ' SER . 51.6 Cg_exo -44.48 106.55 0.08 OUTLIER 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.544 2.163 . . . . 0.0 111.956 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -37.84 -26.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.427 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 8' ' ' PRO . 10.5 t -63.21 2.16 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.118 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 13' ' ' THR . 11.7 mmt180 -100.35 -26.72 13.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.48 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.0 t -73.32 97.38 2.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.376 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 11' ' ' ARG . 2.3 p -103.93 160.35 14.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.769 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.94 -9.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.071 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.42 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -91.78 -38.91 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.018 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.496 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -71.5 -33.28 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.165 179.611 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.508 ' SG ' ' CG ' ' A' ' 24' ' ' ARG . 16.5 t -79.57 7.52 8.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.699 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -128.84 -34.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.516 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.496 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 2.2 m80 -98.43 -37.3 9.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.652 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.734 ' HB2' ' HZ2' ' A' ' 22' ' ' LYS . 5.9 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.364 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.734 ' HZ2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 120.994 0.426 . . . . 0.0 110.188 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.645 ' O ' ' CB ' ' A' ' 28' ' ' CYS . 3.8 m-85 -78.99 -41.02 30.04 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.295 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.508 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 2.5 mtp180 -80.87 7.13 11.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.417 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.94 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -161.72 29.17 0.13 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.115 -0.634 . . . . 0.0 111.944 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.599 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -158.35 -57.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.666 179.085 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.566 ' O ' ' OD1' ' A' ' 5' ' ' ASP . 39.5 m-85 -101.44 -44.03 5.74 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.645 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -93.16 66.72 4.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.088 0.471 . . . . 0.0 110.577 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.455 ' HA ' ' CG2' ' A' ' 34' ' ' THR . 0.1 OUTLIER -92.66 44.67 1.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.206 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.518 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 2.6 pptp? -177.36 -47.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.014 0.435 . . . . 0.0 110.79 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.635 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -59.22 -51.38 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.806 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 93.6 m -71.74 5.7 2.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.661 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 55.91 33.4 60.23 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.455 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 9.6 t -84.69 -11.97 54.8 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.607 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 43.4 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.368 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 121.201 0.524 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.9 p -121.71 -20.76 6.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.264 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 11' ' ' ARG . 10.3 pt -101.65 148.68 35.6 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.915 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.703 ' O ' ' N ' ' A' ' 10' ' ' SER . 37.4 Cg_endo -70.03 127.32 14.22 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.228 1.952 . . . . 0.0 111.61 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -29.12 -30.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.955 -179.741 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.703 ' N ' ' O ' ' A' ' 8' ' ' PRO . 8.1 t -54.39 -0.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.961 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.576 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -109.24 0.76 19.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.67 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -105.19 108.47 20.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.526 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.547 ' C ' ' H ' ' A' ' 15' ' ' PHE . 11.2 p -111.26 160.63 16.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.444 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.32 -0.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.667 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -104.71 -42.41 5.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.322 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.545 ' O ' ' OG ' ' A' ' 20' ' ' SER . 10.8 mm-40 -74.24 -53.09 10.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.372 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.674 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 5.2 t -64.09 5.31 0.25 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.802 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 16' ' ' GLN . 4.9 ttmm -127.34 -39.25 1.89 Allowed 'General case' 1 C--O 1.567 17.797 1 CA-C-O 149.622 14.058 . . . . 0.0 111.028 -179.906 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.667 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 13.6 m80 -92.86 -23.47 18.79 Favored 'General case' 0 N--CA 1.449 -0.507 1 O-C-N 89.605 -20.684 . . . . 0.0 110.625 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.545 ' OG ' ' O ' ' A' ' 16' ' ' GLN . 63.9 p . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.934 0.397 . . . . 0.0 110.702 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.179 0 CA-C-O 120.569 0.224 . . . . 0.0 110.516 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.698 ' O ' ' N ' ' A' ' 28' ' ' CYS . 3.9 m-85 -106.17 -46.37 4.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.087 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' HG21 ' A' ' 34' ' ' THR . 7.8 mtm180 -75.58 -4.26 38.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.228 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 pp -145.82 26.07 1.27 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.498 -0.481 . . . . 0.0 112.146 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -151.96 -63.24 0.17 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.966 0.412 . . . . 0.0 110.296 179.346 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.05 -52.04 4.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.172 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.698 ' N ' ' O ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -89.28 35.82 0.82 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.622 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.722 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -71.57 28.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.99 -179.362 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 28' ' ' CYS . 1.4 pttp -162.31 -47.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.397 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.641 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -53.24 -54.37 37.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.629 -179.267 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.8 m -65.57 20.45 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.32 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.641 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 47.9 31.62 8.03 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -75.06 -54.66 6.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.145 -0.527 . . . . 0.0 110.97 -179.422 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.426 ' H ' HG23 ' A' ' 34' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.655 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.625 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 121.068 0.461 . . . . 0.0 111.643 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 5' ' ' ASP . 46.3 p -159.82 32.58 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.035 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.573 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -122.53 122.87 27.18 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.434 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.652 ' O ' ' N ' ' A' ' 10' ' ' SER . 50.0 Cg_exo -41.99 93.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 121.979 1.786 . . . . 0.0 111.495 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.603 ' C ' ' H ' ' A' ' 11' ' ' ARG . 1.4 mttt -21.97 -41.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.363 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.652 ' N ' ' O ' ' A' ' 8' ' ' PRO . 7.9 t -67.39 27.17 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.789 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.603 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.29 -25.34 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.692 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.0 t -76.58 100.35 5.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.533 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.498 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.7 p -105.52 150.83 24.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.59 -10.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.049 0.452 . . . . 0.0 110.018 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.774 ' CE2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -91.81 -36.65 13.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.382 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.774 ' NE2' ' CE2' ' A' ' 15' ' ' PHE . 1.1 tp-100 -79.07 -34.46 43.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.538 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -78.55 23.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -146.83 -35.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.587 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 1.7 m80 -84.87 -41.89 15.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.637 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.614 0.245 . . . . 0.0 111.392 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.705 ' O ' ' N ' ' A' ' 28' ' ' CYS . 4.1 m-85 -104.36 -45.03 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.203 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.955 ' O ' HG21 ' A' ' 34' ' ' THR . 0.0 OUTLIER -84.05 9.55 12.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.419 179.308 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 24' ' ' ARG . 10.5 mt -140.27 11.2 2.35 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.4 m -160.17 -56.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.9 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -89.89 -56.62 3.16 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.469 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.705 ' N ' ' O ' ' A' ' 23' ' ' TYR . 47.3 m -91.81 36.73 0.96 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.501 ' HA ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -62.52 9.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.413 -179.289 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.558 ' H ' ' C ' ' A' ' 28' ' ' CYS . 12.4 pttm -139.82 -44.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.169 0.509 . . . . 0.0 110.37 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -47.94 -55.89 8.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.771 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 33' ' ' GLY . 4.0 m -76.68 21.79 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.473 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 38.57 44.19 1.72 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.955 HG21 ' O ' ' A' ' 24' ' ' ARG . 9.0 t -90.89 -35.73 14.58 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.453 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 29' ' ' ARG . 20.6 t . . . . . 0 C--N 1.33 -0.261 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.525 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.764 0.316 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.2 t -145.3 8.42 1.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.825 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.429 ' CG1' ' HB3' ' A' ' 27' ' ' PHE . 1.2 pt -133.85 150.49 74.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.548 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' SER . 46.1 Cg_endo -70.64 140.21 38.85 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.796 2.331 . . . . 0.0 112.104 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.602 ' C ' ' H ' ' A' ' 11' ' ' ARG . 5.1 mtmt -46.37 -16.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.942 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' PRO . 58.4 m -58.22 4.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.737 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.602 ' H ' ' C ' ' A' ' 9' ' ' LYS . 9.4 mtt85 -127.57 2.61 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.5 104.73 16.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.259 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.562 ' C ' ' H ' ' A' ' 15' ' ' PHE . 2.2 p -116.64 163.36 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.739 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.83 10.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.156 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.588 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -118.3 -23.41 7.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.253 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.607 ' OE1' ' CZ ' ' A' ' 23' ' ' TYR . 36.9 mm-40 -86.47 -46.59 10.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.943 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -60.57 0.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.039 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 16' ' ' GLN . 29.0 ttmt -125.14 -38.2 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.634 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.588 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.7 m80 -84.45 -46.15 11.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.357 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.675 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 78.8 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.12 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.668 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.799 0.333 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.675 ' CD1' ' OG ' ' A' ' 20' ' ' SER . 11.1 m-85 -127.45 -50.08 1.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.451 ' O ' HG21 ' A' ' 34' ' ' THR . 6.3 mtm-85 -78.48 17.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.377 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' H ' ' C ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -173.7 35.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.63 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.58 -67.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.092 0.473 . . . . 0.0 110.134 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.668 ' CD2' ' O ' ' A' ' 22' ' ' LYS . 1.8 m-85 -100.58 -56.61 2.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.36 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.456 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER -88.97 56.21 3.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.205 0.526 . . . . 0.0 110.198 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.713 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -93.44 28.89 2.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.452 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -151.51 -35.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.95 179.627 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.456 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -68.07 -44.92 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.699 179.382 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -2.59 37.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.136 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.73 31.42 78.35 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.451 HG21 ' O ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -78.67 -12.18 60.01 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.641 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 43.2 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.671 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.611 ' OD1' ' O ' ' A' ' 26' ' ' SER . 0.2 OUTLIER . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.478 0.656 . . . . 0.0 111.428 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.1 p -143.48 15.1 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.626 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.635 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -146.75 158.41 45.94 Favored Pre-proline 0 N--CA 1.456 -0.166 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.859 -179.446 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' A' ' 10' ' ' SER . 50.8 Cg_endo -73.39 144.37 36.44 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 122.795 2.33 . . . . 0.0 111.457 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.525 ' HG2' ' HZ3' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -53.36 -10.41 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.55 -179.73 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 8' ' ' PRO . 74.8 p -71.78 8.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.98 -3.78 6.38 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 27' ' ' PHE . 11.5 m -106.72 85.94 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.838 0.351 . . . . 0.0 110.448 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.637 ' C ' ' H ' ' A' ' 15' ' ' PHE . 4.5 p -87.94 164.24 15.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.688 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.71 13.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.637 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -127.27 -45.03 1.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.244 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.478 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 6.3 tp60 -58.14 -34.22 70.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.974 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.65 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 7.6 p -96.35 16.76 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HB3' ' ND1' ' A' ' 19' ' ' HIS . 12.3 tttm -118.0 -26.08 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.357 . . . . 0.0 110.695 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.575 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -107.0 -38.98 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.71 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.603 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 26' ' ' SER . 0.6 OUTLIER . . . . . 0 CA--C 1.523 -0.07 0 CA-C-O 120.992 0.425 . . . . 0.0 110.49 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.702 ' O ' ' N ' ' A' ' 28' ' ' CYS . 13.1 m-85 -103.61 -23.73 13.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.096 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.936 ' O ' HG21 ' A' ' 34' ' ' THR . 7.2 mtm105 -89.71 -20.32 23.74 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.328 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.2 pp -128.86 26.92 5.5 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.147 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.611 ' O ' ' OD1' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -157.47 -54.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.583 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.61 ' O ' ' OD2' ' A' ' 5' ' ' ASP . 3.8 m-85 -100.35 -21.5 15.4 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.693 -0.403 . . . . 0.0 112.061 -178.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.702 ' N ' ' O ' ' A' ' 23' ' ' TYR . 1.8 m -130.61 51.06 2.15 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.414 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.685 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -77.4 39.1 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.836 179.665 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HZ3' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -172.77 -44.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.684 -179.372 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.63 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -58.46 -61.22 2.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.637 -179.618 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.65 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -63.83 11.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.948 0.404 . . . . 0.0 110.213 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.63 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 54.41 31.75 51.52 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.936 HG21 ' O ' ' A' ' 24' ' ' ARG . 9.8 t -76.17 -33.34 59.35 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.519 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.445 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.677 ' OD2' ' NZ ' ' A' ' 30' ' ' LYS . 1.9 p-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.384 0.611 . . . . 0.0 111.625 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.2 p -138.09 20.25 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.12 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.672 HD13 ' SG ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -117.18 128.89 25.71 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.65 -178.873 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.697 ' O ' ' N ' ' A' ' 10' ' ' SER . 15.6 Cg_endo -62.8 114.69 2.52 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 121.631 1.554 . . . . 0.0 111.303 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' A' ' 11' ' ' ARG . 43.7 pttt -33.96 -23.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.697 ' N ' ' O ' ' A' ' 8' ' ' PRO . 1.2 p -70.33 12.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.693 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.491 ' H ' ' C ' ' A' ' 9' ' ' LYS . 7.5 mtm-85 -126.57 -20.61 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.69 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.672 ' SG ' HD13 ' A' ' 7' ' ' ILE . 77.8 m -87.26 78.83 8.71 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.419 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -90.62 158.86 16.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 -179.381 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.07 -8.66 0.69 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.312 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.653 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -94.73 -33.52 12.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.868 179.829 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.484 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 44.5 mm-40 -86.41 -30.7 21.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.989 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.77 14.48 1.06 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.788 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.56 ' O ' ' NH2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -139.47 -33.06 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.806 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.653 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 1.9 m80 -82.88 -56.78 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.052 179.651 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.588 ' O ' ' OG ' ' A' ' 26' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.169 0 CA-C-O 120.792 0.329 . . . . 0.0 110.395 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.484 ' CD2' ' HB3' ' A' ' 16' ' ' GLN . 3.8 m-85 -81.79 -47.81 12.39 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.871 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -77.08 24.69 0.16 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.299 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.88 32.44 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.166 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.588 ' OG ' ' O ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -160.75 -70.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.422 0.63 . . . . 0.0 110.73 179.517 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.57 ' O ' HG22 ' A' ' 7' ' ' ILE . 85.8 m-85 -86.27 -43.57 12.83 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.454 -178.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 m -101.43 64.52 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.12 0.486 . . . . 0.0 109.838 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' A' ' 35' ' ' CYS . 5.3 mtp180 -73.76 36.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.773 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.677 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -176.98 -45.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.282 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.504 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -58.8 -44.33 90.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.593 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -74.1 4.68 5.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.501 179.056 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.4 37.14 65.03 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.529 HG21 ' C ' ' A' ' 24' ' ' ARG . 10.1 t -101.55 -36.95 8.6 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.138 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.509 ' C ' ' O ' ' A' ' 34' ' ' THR . 40.2 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.528 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' PHE . 11.5 p-10 . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 120.85 0.357 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.505 HG23 HG23 ' A' ' 7' ' ' ILE . 3.2 t -138.39 -2.88 1.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.148 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.505 HG23 HG23 ' A' ' 6' ' ' THR . 1.6 pp -130.03 146.64 62.29 Favored Pre-proline 0 C--N 1.33 -0.252 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.045 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.522 ' C ' ' H ' ' A' ' 10' ' ' SER . 52.0 Cg_exo -42.16 119.75 1.36 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.759 2.306 . . . . 0.0 112.353 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.431 ' HB3' ' HZ1' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -61.45 1.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.311 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 8' ' ' PRO . 5.4 t -71.73 -28.07 63.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.427 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.415 ' O ' HG23 ' A' ' 13' ' ' THR . 1.7 mmp_? -77.56 -2.69 36.93 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.252 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.29 102.27 4.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.934 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.647 ' C ' ' H ' ' A' ' 15' ' ' PHE . 2.9 p -124.6 158.43 33.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.413 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.91 12.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.014 0.435 . . . . 0.0 110.145 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.647 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -117.33 -25.81 6.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.141 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -81.52 -39.74 24.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -0.32 12.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.68 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.69 -43.99 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.02 0.438 . . . . 0.0 110.418 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 16.6 m80 -83.4 -38.8 21.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.381 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.512 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 20.0 m . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.336 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.748 0.308 . . . . 0.0 110.479 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.544 ' O ' ' C ' ' A' ' 28' ' ' CYS . 38.5 m-85 -104.46 -28.22 11.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.657 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.593 ' NH1' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -97.16 5.86 49.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.67 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.593 HD23 ' NH1' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -157.59 27.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.074 179.722 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -160.43 -61.12 0.06 Allowed 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.236 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 2.2 m-85 -94.8 -67.18 0.87 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.245 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.544 ' C ' ' O ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -87.94 47.47 1.51 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.477 0.656 . . . . 0.0 110.364 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.769 HH12 ' CB ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -81.1 31.53 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.189 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 31' ' ' THR . 8.4 pttm -151.46 -44.75 0.11 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.499 0.666 . . . . 0.0 109.753 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.529 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -71.39 -45.77 61.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.332 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.5 m -64.61 -6.61 8.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.267 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.99 24.15 62.36 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.583 ' OG1' ' O ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -78.65 -36.06 44.46 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.52 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.769 ' CB ' HH12 ' A' ' 29' ' ' ARG . 12.9 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.691 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.566 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 13.0 p-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.279 0.561 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.7 p -119.47 20.17 12.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.129 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.716 HD12 ' HB3' ' A' ' 27' ' ' PHE . 6.4 tt -90.83 133.73 31.76 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.563 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.876 ' O ' ' N ' ' A' ' 10' ' ' SER . 15.9 Cg_endo -65.74 66.16 0.4 Allowed 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.85 1.7 . . . . 0.0 110.754 178.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.646 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER 12.02 -59.23 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 O-C-N 124.673 1.233 . . . . 0.0 112.61 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.876 ' N ' ' O ' ' A' ' 8' ' ' PRO . 5.2 m -54.67 5.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.298 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.646 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -103.32 -26.59 12.88 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.485 -179.516 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.7 t -86.48 103.24 14.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 111.228 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.432 ' C ' ' N ' ' A' ' 15' ' ' PHE . 3.3 p -115.41 155.68 26.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.432 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.72 -13.18 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.189 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.625 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -87.98 -42.84 12.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.551 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.531 ' OE1' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -67.1 -44.54 79.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.573 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.471 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -62.89 -2.71 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.673 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 16' ' ' GLN . 60.4 mttt -114.04 -36.66 4.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.096 0.474 . . . . 0.0 110.02 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.6 m80 -91.37 -10.57 40.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.48 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.662 ' OG ' ' NZ ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.537 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.662 ' NZ ' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.238 0 CA-C-O 121.135 0.493 . . . . 0.0 110.216 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -92.91 -39.18 11.3 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -68.13 -2.35 7.77 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.204 -179.631 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -166.86 39.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.949 -0.7 . . . . 0.0 112.01 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -160.78 -54.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.196 179.247 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.716 ' HB3' HD12 ' A' ' 7' ' ' ILE . 76.4 m-85 -101.06 -27.94 12.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.494 ' C ' ' H ' ' A' ' 30' ' ' LYS . 28.2 m -110.57 61.62 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.467 ' HA ' HG23 ' A' ' 34' ' ' THR . 0.6 OUTLIER -72.61 25.74 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.498 ' HD3' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -161.75 -37.05 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.881 0.372 . . . . 0.0 111.032 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.498 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -63.3 -44.21 95.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.917 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.86 18.14 15.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.202 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 42.64 35.91 2.21 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.558 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -85.17 4.51 34.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.721 0.296 . . . . 0.0 110.671 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.458 179.838 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.498 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 17.3 p-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.713 0.292 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -134.31 -0.89 2.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.724 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.8 pt -147.09 148.08 31.09 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.338 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -42.32 135.15 4.41 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.637 2.225 . . . . 0.0 112.009 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' C ' ' H ' ' A' ' 11' ' ' ARG . 13.4 mtpp -56.16 -19.5 13.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.777 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 p -69.07 10.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.757 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.565 ' O ' HG23 ' A' ' 13' ' ' THR . 0.0 OUTLIER -105.66 -29.95 9.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.774 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 t -69.22 98.59 1.05 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.813 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.634 ' C ' ' H ' ' A' ' 15' ' ' PHE . 7.3 p -113.67 145.01 41.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.205 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.82 -4.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.049 0.452 . . . . 0.0 110.022 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.634 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -102.58 -27.75 12.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.392 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.538 ' O ' ' OG ' ' A' ' 20' ' ' SER . 15.9 mm100 -84.17 -39.94 18.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.558 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.602 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -65.86 -0.05 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.987 0.422 . . . . 0.0 110.124 179.713 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -119.73 -40.05 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.378 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.591 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.4 m80 -87.1 -34.66 19.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.852 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.596 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 42.3 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.474 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.499 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.833 0.349 . . . . 0.0 110.587 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.596 ' CD1' ' OG ' ' A' ' 20' ' ' SER . 9.0 m-85 -110.2 -49.33 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.799 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.602 ' NH1' ' O ' ' A' ' 17' ' ' CYS . 19.3 mtm-85 -67.14 -5.74 14.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.536 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 pp -162.76 42.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.528 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -161.17 -58.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.934 179.35 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 1.9 m-85 -100.27 -43.33 6.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.071 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.9 m -99.37 66.91 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 110.033 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.538 ' HA ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -80.13 15.65 1.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.049 -179.417 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HD2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -161.28 -34.65 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.871 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.52 ' H ' ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -65.36 -44.8 86.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.98 0.87 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.431 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.09 27.66 71.64 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.602 ' O ' ' O ' ' A' ' 35' ' ' CYS . 9.2 t -87.71 -44.81 10.89 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.446 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.602 ' O ' ' O ' ' A' ' 34' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 . . . . . 0 C--O 1.23 0.075 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.6 p -121.16 18.59 11.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.699 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.28 148.43 59.57 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.638 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -67.13 135.12 36.21 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.9 2.4 . . . . 0.0 112.197 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -15.02 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.707 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -53.51 -30.43 41.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.562 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.53 -18.72 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.416 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.78 90.05 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.475 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.421 ' C ' ' H ' ' A' ' 15' ' ' PHE . 2.4 p -107.67 166.2 10.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.673 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.43 -6.53 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.88 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.421 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -98.59 -49.5 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.044 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -62.61 -27.9 69.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.54 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.62 16.29 15.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.821 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -130.19 -34.17 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.315 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.416 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 7.6 m80 -93.58 -27.04 16.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.364 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.546 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.806 0.336 . . . . 0.0 110.455 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' CYS . 9.0 m-85 -97.52 -32.92 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 1.02 ' O ' HD23 ' A' ' 25' ' ' LEU . 33.3 mtm180 -78.16 -12.8 60.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.487 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.02 HD23 ' O ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -148.91 37.99 0.81 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.833 -179.18 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -160.97 -51.94 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.7 179.598 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -101.44 -34.47 9.56 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.612 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.5 OUTLIER -111.18 67.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.015 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.587 HH21 ' C ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -85.26 43.21 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.115 179.25 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 31' ' ' THR . 6.8 pttm -170.32 -47.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.566 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.612 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -64.83 -55.26 20.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.203 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 9.51 0.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.86 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.545 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 50.44 30.22 18.71 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 109.766 -1.333 . . . . 0.0 109.766 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.575 HG21 ' O ' ' A' ' 24' ' ' ARG . 8.8 t -86.99 -28.2 22.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.73 0.3 . . . . 0.0 110.789 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.491 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.518 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 1.5 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.187 0.518 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 6' ' ' THR . 4.4 t -148.48 20.12 1.06 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.469 -0.787 . . . . 0.0 108.907 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.618 ' O ' ' N ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -109.9 125.47 31.08 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.797 -178.766 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.694 ' O ' ' N ' ' A' ' 10' ' ' SER . 73.6 Cg_exo -36.7 84.25 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.167 1.912 . . . . 0.0 111.821 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.62 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -18.91 -43.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.625 -179.53 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.694 ' N ' ' O ' ' A' ' 8' ' ' PRO . 40.7 t -66.94 27.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.867 0.365 . . . . 0.0 110.787 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.62 ' H ' ' C ' ' A' ' 9' ' ' LYS . 10.3 mmt180 -128.19 -24.97 3.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.538 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.513 ' HB3' HG21 ' A' ' 31' ' ' THR . 5.5 t -72.1 87.2 1.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.901 0.382 . . . . 0.0 110.342 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.463 ' C ' ' H ' ' A' ' 15' ' ' PHE . 18.4 p -100.72 165.74 11.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.736 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.04 -1.03 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.113 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -101.55 -47.01 4.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.175 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.491 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 6.8 mm-40 -69.18 -33.6 73.62 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.397 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 20.8 t -83.21 12.61 5.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.867 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.11 -41.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.081 0.467 . . . . 0.0 110.484 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.442 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 3.2 m80 -85.94 -23.14 27.07 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.941 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.507 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 22.3 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.271 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.4 OUTLIER . . . . . 0 CA--C 1.527 0.071 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.507 ' CD1' ' HB2' ' A' ' 20' ' ' SER . 14.6 m-85 -76.52 -56.12 4.91 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.229 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.786 ' CD ' ' H ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -59.2 -8.28 1.54 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.341 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.665 ' C ' HH11 ' A' ' 29' ' ' ARG . 1.4 pp -151.13 32.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.54 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -161.51 -57.08 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.546 -0.461 . . . . 0.0 111.337 179.079 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 3.2 m-30 -97.21 -15.68 20.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.06 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.459 ' CB ' ' HG1' ' A' ' 31' ' ' THR . 89.7 m -130.49 58.23 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.248 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.665 HH11 ' C ' ' A' ' 25' ' ' LEU . 5.9 mmm180 -77.54 33.87 0.17 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.516 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -178.66 -46.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.116 0.484 . . . . 0.0 110.68 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.537 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -43.9 -66.93 0.32 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.414 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 15.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.537 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 50.43 37.83 33.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -83.07 -34.07 26.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.693 0.283 . . . . 0.0 110.937 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.716 -179.834 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.723 0.297 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.0 p -129.89 -3.91 4.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.883 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 pp -133.87 150.94 75.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.552 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -40.57 117.86 0.54 Allowed 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.747 2.298 . . . . 0.0 112.234 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -53.21 -19.53 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.707 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -15.68 63.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -89.63 -6.51 56.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.2 t -101.48 83.24 2.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.598 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.415 ' OG1' ' CD2' ' A' ' 15' ' ' PHE . 2.0 p -88.46 161.9 16.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.727 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 -9.64 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.111 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.651 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -94.17 -39.71 10.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.073 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.475 ' NE2' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -67.99 -29.97 69.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.237 179.559 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.424 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -71.85 4.31 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.64 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.04 -36.59 1.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.91 0.386 . . . . 0.0 110.184 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.476 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 5.8 m80 -86.61 -14.45 42.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.293 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.41 ' OG ' ' NZ ' ' A' ' 22' ' ' LYS . 5.7 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.401 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.46 0.038 0 CA-C-O 120.814 0.34 . . . . 0.0 110.631 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.44 ' O ' ' CB ' ' A' ' 28' ' ' CYS . 9.6 m-85 -104.36 -35.6 7.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.64 ' O ' HG21 ' A' ' 34' ' ' THR . 11.9 mtm180 -83.17 -5.61 59.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.281 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.767 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.2 pp -153.15 37.37 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.311 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -160.43 -55.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.957 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 3.6 m-30 -100.0 -40.16 7.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.44 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 1.8 m -104.66 68.56 0.86 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.01 0.434 . . . . 0.0 110.004 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.45 ' HA ' ' CG2' ' A' ' 34' ' ' THR . 3.3 mmm180 -80.31 -0.82 38.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.034 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HZ3' ' HB2' ' A' ' 30' ' ' LYS . 1.8 mtmm -138.48 -43.16 0.49 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.563 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -54.53 -57.42 11.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -179.598 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.474 ' N ' HG22 ' A' ' 31' ' ' THR . 0.1 OUTLIER -71.31 15.79 0.11 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.83 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 42.47 42.48 4.54 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.64 HG21 ' O ' ' A' ' 24' ' ' ARG . 11.1 t -92.03 -8.84 44.83 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.969 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.448 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.492 ' OD2' ' NZ ' ' A' ' 30' ' ' LYS . 2.3 p30 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.081 0.467 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.4 p -142.8 28.36 1.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.357 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.552 ' O ' ' N ' ' A' ' 9' ' ' LYS . 1.1 tt -131.79 129.45 21.97 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.81 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.712 ' O ' ' N ' ' A' ' 10' ' ' SER . 5.5 Cg_exo -49.56 85.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 121.475 1.45 . . . . 0.0 111.261 179.189 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.636 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -11.8 -50.29 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.794 -179.343 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.712 ' N ' ' O ' ' A' ' 8' ' ' PRO . 8.0 m -49.47 0.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.506 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.636 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -102.21 -18.04 15.68 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.017 -179.614 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.7 m -80.57 95.54 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 0.0 110.495 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.72 159.02 15.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.635 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.98 -13.78 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.058 0.456 . . . . 0.0 109.775 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.703 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -92.04 -40.86 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.489 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.533 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -68.6 -31.98 71.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.309 0.576 . . . . 0.0 109.705 179.752 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.721 ' C ' HH11 ' A' ' 24' ' ' ARG . 3.4 m -71.22 25.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.559 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.829 ' N ' ' NH1' ' A' ' 24' ' ' ARG . 18.2 tttt -164.08 -18.53 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.656 0.614 . . . . 0.0 112.656 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.703 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.4 m80 -107.45 -12.87 15.22 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.728 ' C ' ' NH2' ' A' ' 24' ' ' ARG . 69.8 m . . . . . 0 N--CA 1.466 0.374 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.1 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.629 ' N ' ' O ' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.205 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.533 ' CE2' ' HG2' ' A' ' 16' ' ' GLN . 8.1 m-85 -120.01 -48.95 2.32 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.465 178.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.907 ' O ' HG21 ' A' ' 34' ' ' THR . 3.9 mtm-85 -63.36 -25.32 68.24 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.05 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.43 51.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.948 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.46 -60.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.1 0.476 . . . . 0.0 109.934 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.508 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 8.2 m-85 -100.64 -54.99 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.78 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.506 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 3.2 m -92.24 68.87 5.12 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.268 0.556 . . . . 0.0 110.185 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.671 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -67.46 -4.7 12.08 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.364 -179.365 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HE3' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -135.96 -46.44 0.65 Allowed 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.277 -179.382 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.654 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -50.32 -61.38 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.427 -178.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 97.5 m -53.19 -2.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.654 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 68.14 34.55 81.31 Favored Glycine 0 C--N 1.331 0.289 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.907 HG21 ' O ' ' A' ' 24' ' ' ARG . 8.1 t -91.14 -35.57 14.49 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.411 -0.515 . . . . 0.0 111.819 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.671 ' SG ' ' O ' ' A' ' 29' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.227 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.149 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.472 ' OD1' ' C ' ' A' ' 5' ' ' ASP . 35.1 p30 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.339 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.4 p -131.65 11.91 4.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.309 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.964 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -131.2 150.4 76.4 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.378 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.69 ' O ' ' N ' ' A' ' 10' ' ' SER . 6.8 Cg_endo -54.6 105.45 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.747 2.298 . . . . 0.0 111.669 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.61 ' C ' ' H ' ' A' ' 11' ' ' ARG . 14.8 mtpp -33.35 -25.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.641 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.69 ' N ' ' O ' ' A' ' 8' ' ' PRO . 96.8 p -66.24 18.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.486 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.61 ' H ' ' C ' ' A' ' 9' ' ' LYS . 2.8 mmm-85 -118.7 -11.3 9.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.246 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.2 m -82.83 101.38 10.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.381 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.3 p -108.92 159.76 16.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.17 -7.62 0.87 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.073 0.463 . . . . 0.0 110.249 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 1.1 t80 -94.03 -32.94 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.331 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.705 ' NE2' ' CZ ' ' A' ' 23' ' ' TYR . 11.1 mm100 -76.55 -41.01 48.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.8 t -73.7 0.85 11.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.374 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -120.01 -35.98 3.37 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.668 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.469 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 6.1 m80 -105.23 -43.13 5.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.345 0.593 . . . . 0.0 110.208 179.908 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.59 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.5 pttm . . . . . 0 CA--C 1.521 -0.151 0 CA-C-O 121.008 0.432 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.705 ' CZ ' ' NE2' ' A' ' 16' ' ' GLN . 6.8 m-85 -82.78 -43.72 16.4 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.321 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HG2' ' SG ' ' A' ' 32' ' ' CYS . 22.3 mtm-85 -73.73 10.41 1.13 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.956 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -170.17 31.86 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 120.074 -0.65 . . . . 0.0 112.41 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -159.92 -62.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.305 179.094 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.612 ' HB3' HD12 ' A' ' 7' ' ' ILE . 25.3 m-85 -100.04 -14.04 18.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.328 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.653 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -138.19 38.81 2.31 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.478 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.646 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -68.64 36.08 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.612 -178.722 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.585 ' CG ' ' N ' ' A' ' 31' ' ' THR . 2.5 pttp -166.69 -49.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.214 0.531 . . . . 0.0 110.555 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.612 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -51.73 -52.27 49.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.898 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.459 ' SG ' ' HG2' ' A' ' 24' ' ' ARG . 90.8 m -61.32 3.35 0.11 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.762 178.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.612 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 61.29 33.02 82.91 Favored Glycine 0 N--CA 1.462 0.397 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 -179.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.552 HG21 ' HA ' ' A' ' 29' ' ' ARG . 1.2 t -76.7 -48.97 17.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.667 0.27 . . . . 0.0 110.894 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.43 ' N ' HG23 ' A' ' 34' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.223 -0.322 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.789 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--O 1.231 0.125 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -153.96 15.08 0.48 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -130.06 131.05 23.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.538 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -42.75 140.72 2.78 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.417 2.078 . . . . 0.0 112.031 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 1.5 mppt? -62.13 -11.58 15.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.958 0.409 . . . . 0.0 110.205 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.42 -27.38 68.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.644 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -85.16 -19.48 31.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.642 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.12 92.99 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.25 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.441 ' C ' ' H ' ' A' ' 15' ' ' PHE . 7.3 p -110.98 169.25 8.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.74 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.63 -3.28 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.861 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.441 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -97.49 -48.15 5.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.861 179.616 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.561 ' OE1' ' CZ ' ' A' ' 23' ' ' TYR . 3.6 mm-40 -73.37 -34.94 65.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.123 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.666 ' C ' HH11 ' A' ' 24' ' ' ARG . 0.5 OUTLIER -86.52 19.05 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.44 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.748 ' N ' ' NH1' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -135.19 -36.1 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.399 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.697 ' C ' HH22 ' A' ' 24' ' ' ARG . 0.4 OUTLIER -97.7 -27.81 14.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.622 ' N ' HH12 ' A' ' 24' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.463 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.615 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.577 0 CA-C-O 121.254 0.55 . . . . 0.0 110.239 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.561 ' CZ ' ' OE1' ' A' ' 16' ' ' GLN . 5.2 m-85 -112.17 -59.43 2.0 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.864 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.748 ' NH1' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.04 8.72 0.68 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.802 -179.084 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.999 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -147.21 15.42 1.16 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.791 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 5.2 m -152.9 -65.64 0.16 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.432 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.481 ' CZ ' ' HD2' ' A' ' 22' ' ' LYS . 14.3 m-85 -88.61 -38.13 15.08 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.086 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.675 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER -89.69 59.54 4.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.392 0.615 . . . . 0.0 110.293 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -82.73 15.43 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.72 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.502 ' N ' ' CD ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -146.51 -38.07 0.23 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.03 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.675 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -64.97 -67.49 0.43 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.553 -179.745 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' SG ' ' HB3' ' A' ' 24' ' ' ARG . 1.3 m -63.28 13.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.438 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.64 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 46.97 38.37 10.38 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 28' ' ' CYS . 14.1 t -93.97 2.46 56.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.568 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 44.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.447 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.4 OUTLIER -142.23 8.02 1.8 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.414 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.02 152.1 71.34 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.328 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.522 ' C ' ' H ' ' A' ' 10' ' ' SER . 34.0 Cg_endo -67.34 141.66 57.29 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.974 2.449 . . . . 0.0 111.952 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -63.25 5.03 0.17 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.707 -179.837 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -72.91 -25.27 61.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.869 179.455 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -92.33 -13.01 30.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.318 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 t -80.69 96.48 6.91 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.801 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.61 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.3 p -105.09 159.93 15.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.625 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.27 11.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.961 0.41 . . . . 0.0 110.592 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.64 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -122.96 -27.76 4.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.351 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -71.28 -40.93 70.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.971 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.458 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -82.39 8.85 10.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.266 179.87 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.484 ' HB3' ' ND1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -114.93 -28.07 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.417 179.55 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.611 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 0.3 OUTLIER -108.43 -30.25 8.39 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.387 -179.793 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.642 -179.829 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 26' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.124 0 CA-C-O 120.947 0.403 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.495 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 3.7 m-85 -102.38 -33.28 9.62 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.465 ' HG2' ' SG ' ' A' ' 32' ' ' CYS . 5.6 mtm180 -82.87 10.53 7.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.395 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -176.12 43.46 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.09 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -161.24 -66.01 0.06 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.32 0.581 . . . . 0.0 110.467 179.105 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -100.91 -62.21 1.27 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.356 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.495 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 65.8 m -82.13 47.35 1.11 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.405 178.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.516 ' HA ' ' CG2' ' A' ' 34' ' ' THR . 0.8 OUTLIER -78.18 11.5 2.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.953 -179.084 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.486 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -131.85 -38.18 1.14 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.078 0.466 . . . . 0.0 109.835 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.489 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -63.32 -46.36 87.01 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.504 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.465 ' SG ' ' HG2' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -74.95 10.87 1.26 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.378 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 44.73 42.0 7.4 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.516 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 5.7 t -94.26 -31.07 14.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.977 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.502 ' CB ' HH21 ' A' ' 29' ' ' ARG . 13.4 t . . . . . 0 C--N 1.331 -0.238 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.484 ' CB ' ' HA ' ' A' ' 27' ' ' PHE . 2.8 t70 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 121.591 0.71 . . . . 0.0 112.572 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.442 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 47.4 p -87.61 24.56 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.772 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 7' ' ' ILE . 9.0 tt -103.35 123.84 40.25 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.188 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 10' ' ' SER . 68.1 Cg_endo -79.11 138.03 14.05 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.423 2.082 . . . . 0.0 110.949 178.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.22 -17.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.167 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 8' ' ' PRO . 2.9 t -82.06 22.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.192 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -133.42 -11.61 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.33 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.86 99.84 10.68 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.537 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.545 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.4 p -114.8 163.62 15.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.3 0.94 0.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.508 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.545 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -109.79 -37.11 5.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.066 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 1.4 tp60 -74.61 -46.82 35.96 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.81 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 8.63 1.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.366 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -122.18 -37.25 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.652 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.534 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 3.1 m80 -88.02 -60.3 2.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.299 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.676 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 92.8 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.94 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.645 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.676 ' CD1' ' OG ' ' A' ' 20' ' ' SER . 23.2 m-85 -70.98 -39.08 72.69 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.92 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -69.81 -14.04 62.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.552 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.58 44.92 0.46 Allowed 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.295 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.698 ' OG ' ' CD2' ' A' ' 27' ' ' PHE . 3.1 p -160.28 -64.77 0.07 Allowed 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.298 0.571 . . . . 0.0 110.453 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.698 ' CD2' ' OG ' ' A' ' 26' ' ' SER . 96.3 m-85 -90.16 -53.98 4.23 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.706 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.495 ' SG ' HD13 ' A' ' 7' ' ' ILE . 73.0 m -90.26 65.61 6.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.244 0.545 . . . . 0.0 110.232 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 mmm-85 -77.75 15.56 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.178 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HD2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -153.24 -36.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.999 -179.731 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.548 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -60.69 -60.61 3.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.153 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 5.71 0.22 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.948 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.548 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 59.11 27.29 62.34 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -74.06 -21.88 59.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.825 0.345 . . . . 0.0 110.41 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.468 179.58 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 1.6 p30 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 121.081 0.467 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.625 HG23 HG22 ' A' ' 7' ' ' ILE . 5.8 t -142.03 10.79 1.97 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.786 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.625 HG22 HG23 ' A' ' 6' ' ' THR . 0.1 OUTLIER -140.73 159.6 61.96 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.461 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.592 ' O ' ' N ' ' A' ' 10' ' ' SER . 12.0 Cg_endo -58.75 100.26 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.743 2.295 . . . . 0.0 112.182 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.413 ' CB ' ' HZ3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -45.23 -9.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.962 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.592 ' N ' ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -73.52 0.75 11.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.844 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.85 -0.44 19.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' SG ' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -75.0 83.14 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.186 179.576 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.585 ' C ' ' H ' ' A' ' 15' ' ' PHE . 16.0 p -84.77 155.22 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.585 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.16 4.95 0.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.064 0.459 . . . . 0.0 109.887 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.604 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -113.44 -29.55 7.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.641 -179.649 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.476 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 22.8 mm-40 -75.25 -38.58 60.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.372 . . . . 0.0 110.459 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.8 t -81.36 20.73 0.83 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.643 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -138.52 -36.16 0.58 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.995 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.604 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 5.9 m80 -96.97 -29.39 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.767 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.501 ' HG3' ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 121.068 0.461 . . . . 0.0 110.36 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.476 ' CD2' ' HB3' ' A' ' 16' ' ' GLN . 1.1 m-85 -121.95 -43.04 2.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.427 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 34' ' ' THR . 23.1 mtm180 -70.41 -9.81 57.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.972 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HA ' ' HE ' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -161.3 45.14 0.17 Allowed 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.231 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.22 -58.84 0.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.535 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 3.6 m-85 -100.12 -59.75 1.65 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.19 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.654 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 1.7 m -91.04 62.05 4.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HE ' ' HA ' ' A' ' 25' ' ' LEU . 2.1 mmp_? -66.97 6.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.548 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -153.25 -41.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.947 -179.409 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.654 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -46.49 -50.97 16.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.392 -179.779 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 60.8 m -79.58 19.23 0.65 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.257 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 52.29 36.83 46.42 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.567 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -78.22 -47.85 17.09 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.922 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.529 ' C ' ' O ' ' A' ' 34' ' ' THR . 3.2 t . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.612 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.199 0.523 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.478 ' C ' ' CG2' ' A' ' 7' ' ' ILE . 41.3 p -136.32 6.34 3.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.556 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.538 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -153.59 157.09 32.73 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.434 -178.426 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.63 ' C ' ' H ' ' A' ' 10' ' ' SER . 42.4 Cg_endo -74.39 155.06 46.01 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.403 2.069 . . . . 0.0 111.137 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -0.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.744 0.307 . . . . 0.0 111.105 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.63 ' H ' ' C ' ' A' ' 8' ' ' PRO . 13.6 t -80.92 -5.36 57.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.43 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.48 -2.49 16.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.34 96.81 7.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.51 ' C ' ' H ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -101.98 159.47 15.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.391 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.41 1.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.358 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.51 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -106.89 -30.81 8.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.365 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.673 ' NE2' ' CZ ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -83.33 -37.74 23.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.438 179.821 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 44.6 t -76.63 21.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.543 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 16' ' ' GLN . 5.8 tmtm? -139.1 -35.57 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.639 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.497 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 3.9 m80 -98.8 -41.17 7.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.584 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.409 ' HG ' ' CD ' ' A' ' 16' ' ' GLN . 75.7 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.518 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.895 0.379 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.673 ' CZ ' ' NE2' ' A' ' 16' ' ' GLN . 3.5 m-85 -127.78 -47.52 1.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.451 ' HG3' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -73.24 9.46 1.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.41 179.796 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.455 HD12 ' C ' ' A' ' 25' ' ' LEU . 2.7 pp -162.41 29.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -160.53 -62.91 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.729 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -81.53 -46.13 14.92 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.522 ' C ' ' H ' ' A' ' 30' ' ' LYS . 2.1 m -112.55 53.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.316 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.68 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -72.3 34.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.386 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.555 ' HB3' HH21 ' A' ' 29' ' ' ARG . 2.4 pptp? -175.19 -47.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.314 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.457 ' N ' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -50.2 -30.61 11.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.281 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.9 m -102.43 19.28 19.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.221 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.83 38.19 59.13 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -91.86 -51.86 5.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.65 0.262 . . . . 0.0 110.662 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.591 ' O ' ' O ' ' A' ' 29' ' ' ARG . 22.6 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.648 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.461 0.116 0 CA-C-O 120.771 0.32 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.81 7.76 2.09 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.445 ' CG1' ' HB3' ' A' ' 27' ' ' PHE . 1.8 pp -137.6 150.24 67.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.397 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -52.53 143.59 44.88 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.658 2.239 . . . . 0.0 111.952 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.45 ' C ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -67.43 -26.02 66.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.484 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.7 p -48.99 -42.56 38.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.051 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.628 ' CG ' HH11 ' A' ' 11' ' ' ARG . 0.0 OUTLIER -76.72 3.47 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.558 -179.797 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.488 ' SG ' HG21 ' A' ' 31' ' ' THR . 35.7 t -101.28 94.54 5.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.854 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.601 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.8 p -107.65 149.45 28.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.329 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.31 -3.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.049 0.452 . . . . 0.0 110.206 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.71 ' CZ ' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -96.11 -39.78 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.036 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.71 ' NE2' ' CZ ' ' A' ' 15' ' ' PHE . 23.5 mm-40 -72.08 -33.3 67.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.307 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.675 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 1.9 t -74.18 1.79 10.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.518 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -121.0 -38.26 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.568 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.8 m80 -85.0 -12.36 53.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.809 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.568 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 14.6 m . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.707 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.525 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.154 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.653 ' O ' ' N ' ' A' ' 28' ' ' CYS . 10.6 m-85 -124.1 -47.87 1.88 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.997 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.882 ' O ' HG21 ' A' ' 34' ' ' THR . 71.4 mtm-85 -67.38 -22.62 65.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.627 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.418 HD23 ' HB2' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -136.6 38.66 2.65 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.777 -178.6 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -160.34 -69.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.176 0.512 . . . . 0.0 110.569 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.525 ' CD2' ' O ' ' A' ' 22' ' ' LYS . 2.3 m-85 -93.16 -54.38 3.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.347 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.653 ' N ' ' O ' ' A' ' 23' ' ' TYR . 77.0 m -95.4 50.76 1.26 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.877 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.797 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -79.84 18.08 0.85 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.626 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 31' ' ' THR . 14.9 pttm -149.67 -47.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.105 0.479 . . . . 0.0 111.128 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.557 ' C ' ' H ' ' A' ' 33' ' ' GLY . 1.1 m -47.12 -55.88 7.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.337 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.72 18.43 0.08 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.008 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 48.33 40.33 22.52 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.882 HG21 ' O ' ' A' ' 24' ' ' ARG . 8.5 t -87.94 -40.04 14.25 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.318 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 1.1 t . . . . . 0 C--N 1.331 -0.228 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.614 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -152.76 -160.73 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.405 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.4 -153.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.493 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.5 m -86.58 109.21 18.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.311 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -157.67 141.56 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.459 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.566 ' OD1' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -85.56 173.4 10.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.072 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.2 p -116.53 -11.57 11.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.486 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.9 146.79 36.86 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.435 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.546 ' O ' ' N ' ' A' ' 10' ' ' SER . 51.6 Cg_exo -44.48 106.55 0.08 OUTLIER 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.544 2.163 . . . . 0.0 111.956 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -37.84 -26.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.427 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 8' ' ' PRO . 10.5 t -63.21 2.16 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.118 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 13' ' ' THR . 11.7 mmt180 -100.35 -26.72 13.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.48 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.0 t -73.32 97.38 2.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.376 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 11' ' ' ARG . 2.3 p -103.93 160.35 14.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.769 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.94 -9.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.071 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.42 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -91.78 -38.91 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.018 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.496 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -71.5 -33.28 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.165 179.611 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.508 ' SG ' ' CG ' ' A' ' 24' ' ' ARG . 16.5 t -79.57 7.52 8.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.699 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -128.84 -34.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.516 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.496 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 2.2 m80 -98.43 -37.3 9.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.652 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.734 ' HB2' ' HZ2' ' A' ' 22' ' ' LYS . 5.9 p -102.87 113.1 26.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.364 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.515 ' C ' ' N ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.734 ' HZ2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER -47.89 -18.32 0.16 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.994 0.426 . . . . 0.0 110.188 179.757 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.645 ' O ' ' CB ' ' A' ' 28' ' ' CYS . 3.8 m-85 -78.99 -41.02 30.04 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.295 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.508 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 2.5 mtp180 -80.87 7.13 11.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.417 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.94 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -161.72 29.17 0.13 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.115 -0.634 . . . . 0.0 111.944 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.599 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -158.35 -57.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.666 179.085 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.566 ' O ' ' OD1' ' A' ' 5' ' ' ASP . 39.5 m-85 -101.44 -44.03 5.74 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.645 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -93.16 66.72 4.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.088 0.471 . . . . 0.0 110.577 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.455 ' HA ' ' CG2' ' A' ' 34' ' ' THR . 0.1 OUTLIER -92.66 44.67 1.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.206 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 2.6 pptp? -177.36 -47.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.014 0.435 . . . . 0.0 110.79 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.635 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -59.22 -51.38 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.806 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 93.6 m -71.74 5.7 2.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.661 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 55.91 33.4 60.23 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.455 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 9.6 t -84.69 -11.97 54.8 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.607 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 43.4 t -99.6 50.2 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.368 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.636 0 O-C-N 120.521 -1.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' PFX . . . . . 0.577 ' OC ' ' CG ' ' A' ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.611 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -31.49 -94.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.572 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 1.8 t 152.65 78.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.918 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.81 ' C ' HD13 ' A' ' 4' ' ' ILE . 37.3 t -78.81 55.77 1.78 Allowed 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 121.294 0.568 . . . . 0.0 109.752 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.81 HD13 ' C ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -134.4 143.06 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.285 -179.487 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -112.48 155.71 23.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.103 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.9 p -121.71 -20.76 6.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.264 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 11' ' ' ARG . 10.3 pt -101.65 148.68 35.6 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.915 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.703 ' O ' ' N ' ' A' ' 10' ' ' SER . 37.4 Cg_endo -70.03 127.32 14.22 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.228 1.952 . . . . 0.0 111.61 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -29.12 -30.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.955 -179.741 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.703 ' N ' ' O ' ' A' ' 8' ' ' PRO . 8.1 t -54.39 -0.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.961 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.576 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -109.24 0.76 19.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.67 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -105.19 108.47 20.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.526 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.547 ' C ' ' H ' ' A' ' 15' ' ' PHE . 11.2 p -111.26 160.63 16.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.444 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.32 -0.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.667 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -104.71 -42.41 5.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.322 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.545 ' O ' ' OG ' ' A' ' 20' ' ' SER . 10.8 mm-40 -74.24 -53.09 10.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.372 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.674 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 5.2 t -64.09 5.31 0.25 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.802 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 16' ' ' GLN . 4.9 ttmm -127.34 -39.25 1.89 Allowed 'General case' 1 C--O 1.567 17.797 1 CA-C-O 149.622 14.058 . . . . 0.0 111.028 -179.906 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.667 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 13.6 m80 -92.86 -23.47 18.79 Favored 'General case' 0 N--CA 1.449 -0.507 1 O-C-N 89.605 -20.684 . . . . 0.0 110.625 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.545 ' OG ' ' O ' ' A' ' 16' ' ' GLN . 63.9 p -107.15 119.28 38.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.934 0.397 . . . . 0.0 110.702 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.733 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -59.27 7.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.516 179.713 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.733 ' H ' ' C ' ' A' ' 21' ' ' NLE . 3.9 m-85 -106.17 -46.37 4.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.087 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.483 ' HE ' ' HA ' ' A' ' 21' ' ' NLE . 7.8 mtm180 -75.58 -4.26 38.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.228 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 pp -145.82 26.07 1.27 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.498 -0.481 . . . . 0.0 112.146 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.494 ' O ' ' O ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER -151.96 -63.24 0.17 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.966 0.412 . . . . 0.0 110.296 179.346 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.05 -52.04 4.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.172 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.698 ' N ' ' O ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -89.28 35.82 0.82 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.622 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.722 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -71.57 28.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.99 -179.362 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 28' ' ' CYS . 1.4 pttp -162.31 -47.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.397 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.641 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -53.24 -54.37 37.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.629 -179.267 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.8 m -65.57 20.45 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.32 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.641 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 47.9 31.62 8.03 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -75.06 -54.66 6.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.145 -0.527 . . . . 0.0 110.97 -179.422 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.426 ' H ' HG23 ' A' ' 34' ' ' THR . 0.9 OUTLIER -69.86 3.16 2.78 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.655 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.396 0 O-C-N 119.94 -1.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.414 ' HD2' HH11 ' A' ' 1' ' ' ARG . 2.0 mmm180 -85.67 -92.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.694 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.72 18.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.587 ' SG ' ' CZ ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -95.6 77.26 3.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.135 0.493 . . . . 0.0 110.82 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.594 ' O ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -158.14 132.3 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.834 179.367 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.625 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.2 OUTLIER -110.43 149.12 30.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.068 0.461 . . . . 0.0 111.643 -179.114 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 5' ' ' ASP . 46.3 p -159.82 32.58 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.035 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.573 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -122.53 122.87 27.18 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.434 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.652 ' O ' ' N ' ' A' ' 10' ' ' SER . 50.0 Cg_exo -41.99 93.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 121.979 1.786 . . . . 0.0 111.495 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.603 ' C ' ' H ' ' A' ' 11' ' ' ARG . 1.4 mttt -21.97 -41.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.363 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.652 ' N ' ' O ' ' A' ' 8' ' ' PRO . 7.9 t -67.39 27.17 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.789 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.603 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.29 -25.34 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.692 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.0 t -76.58 100.35 5.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.533 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.498 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.7 p -105.52 150.83 24.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.59 -10.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.049 0.452 . . . . 0.0 110.018 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.774 ' CE2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -91.81 -36.65 13.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.382 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.774 ' NE2' ' CE2' ' A' ' 15' ' ' PHE . 1.1 tp-100 -79.07 -34.46 43.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.538 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -78.55 23.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -146.83 -35.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.587 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 1.7 m80 -84.87 -41.89 15.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.75 119.22 38.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.637 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.714 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.91 5.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.392 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.714 ' H ' ' C ' ' A' ' 21' ' ' NLE . 4.1 m-85 -104.36 -45.03 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.203 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.955 ' O ' HG21 ' A' ' 34' ' ' THR . 0.0 OUTLIER -84.05 9.55 12.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.419 179.308 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 24' ' ' ARG . 10.5 mt -140.27 11.2 2.35 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.594 ' O ' ' O ' ' A' ' 4' ' ' ILE . 44.4 m -160.17 -56.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.9 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -89.89 -56.62 3.16 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.469 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.705 ' N ' ' O ' ' A' ' 23' ' ' TYR . 47.3 m -91.81 36.73 0.96 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.587 ' CZ ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -62.52 9.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.413 -179.289 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.558 ' H ' ' C ' ' A' ' 28' ' ' CYS . 12.4 pttm -139.82 -44.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.169 0.509 . . . . 0.0 110.37 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -47.94 -55.89 8.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.771 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 33' ' ' GLY . 4.0 m -76.68 21.79 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.473 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 38.57 44.19 1.72 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.955 HG21 ' O ' ' A' ' 24' ' ' ARG . 9.0 t -90.89 -35.73 14.58 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.453 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 29' ' ' ARG . 20.6 t -132.48 125.71 31.3 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.525 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.974 -1.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.615 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 179.81 -68.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.479 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 1.8 p 151.8 57.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.464 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.783 ' O ' HG23 ' A' ' 4' ' ' ILE . 3.7 m -134.83 80.74 1.86 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.954 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.783 HG23 ' O ' ' A' ' 3' ' ' CYS . 1.4 pt -167.6 118.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.391 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -109.74 168.88 9.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.528 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.2 t -145.3 8.42 1.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.825 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.429 ' CG1' ' HB3' ' A' ' 27' ' ' PHE . 1.2 pt -133.85 150.49 74.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.548 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' SER . 46.1 Cg_endo -70.64 140.21 38.85 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.796 2.331 . . . . 0.0 112.104 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.602 ' C ' ' H ' ' A' ' 11' ' ' ARG . 5.1 mtmt -46.37 -16.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.942 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' PRO . 58.4 m -58.22 4.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.737 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.602 ' H ' ' C ' ' A' ' 9' ' ' LYS . 9.4 mtt85 -127.57 2.61 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.5 104.73 16.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.259 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.562 ' C ' ' H ' ' A' ' 15' ' ' PHE . 2.2 p -116.64 163.36 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.739 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.83 10.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.156 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.588 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -118.3 -23.41 7.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.253 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.607 ' OE1' ' CZ ' ' A' ' 23' ' ' TYR . 36.9 mm-40 -86.47 -46.59 10.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.943 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -60.57 0.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.039 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 16' ' ' GLN . 29.0 ttmt -125.14 -38.2 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.634 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.588 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.7 m80 -84.45 -46.15 11.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.357 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.675 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 78.8 p -89.47 117.54 28.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.12 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.632 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.668 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -70.16 37.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.313 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.675 ' CD1' ' OG ' ' A' ' 20' ' ' SER . 11.1 m-85 -127.45 -50.08 1.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.451 ' O ' HG21 ' A' ' 34' ' ' THR . 6.3 mtm-85 -78.48 17.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.377 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.407 ' H ' ' C ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -173.7 35.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.63 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.585 ' O ' ' O ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -160.58 -67.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.092 0.473 . . . . 0.0 110.134 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.668 ' CD2' ' O ' ' A' ' 22' ' ' LYS . 1.8 m-85 -100.58 -56.61 2.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.36 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.456 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER -88.97 56.21 3.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.205 0.526 . . . . 0.0 110.198 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.713 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -93.44 28.89 2.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.452 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -151.51 -35.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.95 179.627 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.456 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -68.07 -44.92 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.699 179.382 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -2.59 37.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.136 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.73 31.42 78.35 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.451 HG21 ' O ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -78.67 -12.18 60.01 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.641 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 43.2 t -153.77 11.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.671 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.997 -1.689 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' PFX . . . . . 0.461 ' C1 ' ' N ' ' A' ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.459 ' NE ' ' O ' ' A' ' 0' ' ' PFX . 1.6 mmp_? -140.21 -150.5 0.32 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.057 0.456 . . . . 0.0 110.962 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.29 29.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.481 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.692 ' C ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -81.59 108.75 15.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.204 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.633 ' CA ' HH11 ' A' ' 29' ' ' ARG . 0.0 OUTLIER -152.64 131.38 2.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.152 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.611 ' OD1' ' O ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -108.47 176.3 5.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.478 0.656 . . . . 0.0 111.428 -179.572 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.1 p -143.48 15.1 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.626 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.635 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -146.75 158.41 45.94 Favored Pre-proline 0 N--CA 1.456 -0.166 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.859 -179.446 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' A' ' 10' ' ' SER . 50.8 Cg_endo -73.39 144.37 36.44 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 122.795 2.33 . . . . 0.0 111.457 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.525 ' HG2' ' HZ3' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -53.36 -10.41 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.55 -179.73 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 8' ' ' PRO . 74.8 p -71.78 8.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.98 -3.78 6.38 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 27' ' ' PHE . 11.5 m -106.72 85.94 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.838 0.351 . . . . 0.0 110.448 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.637 ' C ' ' H ' ' A' ' 15' ' ' PHE . 4.5 p -87.94 164.24 15.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.688 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.71 13.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.637 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -127.27 -45.03 1.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.244 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.478 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 6.3 tp60 -58.14 -34.22 70.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.974 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.65 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 7.6 p -96.35 16.76 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HB3' ' ND1' ' A' ' 19' ' ' HIS . 12.3 tttm -118.0 -26.08 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.357 . . . . 0.0 110.695 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.575 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -107.0 -38.98 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.71 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -95.69 130.09 42.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.603 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.461 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 26' ' ' SER . 0.6 OUTLIER -66.33 -2.93 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 110.49 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.702 ' O ' ' N ' ' A' ' 28' ' ' CYS . 13.1 m-85 -103.61 -23.73 13.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.096 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.936 ' O ' HG21 ' A' ' 34' ' ' THR . 7.2 mtm105 -89.71 -20.32 23.74 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.328 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.2 pp -128.86 26.92 5.5 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.147 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.611 ' O ' ' OD1' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -157.47 -54.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.583 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.61 ' O ' ' OD2' ' A' ' 5' ' ' ASP . 3.8 m-85 -100.35 -21.5 15.4 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.693 -0.403 . . . . 0.0 112.061 -178.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.702 ' N ' ' O ' ' A' ' 23' ' ' TYR . 1.8 m -130.61 51.06 2.15 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.414 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.692 ' NH1' ' C ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -77.4 39.1 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.836 179.665 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HZ3' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -172.77 -44.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.684 -179.372 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.63 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -58.46 -61.22 2.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.637 -179.618 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.65 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -63.83 11.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.948 0.404 . . . . 0.0 110.213 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.63 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 54.41 31.75 51.52 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.936 HG21 ' O ' ' A' ' 24' ' ' ARG . 9.8 t -76.17 -33.34 59.35 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.519 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.649 ' SG ' ' N ' ' A' ' 36' ' ' NH2 . 2.5 t -110.64 167.05 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.445 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . 0.649 ' N ' ' SG ' ' A' ' 35' ' ' CYS . . . . . . . . 0 C--N 1.306 -1.29 0 O-C-N 119.951 -1.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 51.79 -125.08 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.44 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.4 p -138.15 142.23 40.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.682 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.622 ' SG ' ' C ' ' A' ' 35' ' ' CYS . 19.8 m -98.33 110.72 23.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.273 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -157.12 143.17 9.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.464 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.677 ' OD2' ' NZ ' ' A' ' 30' ' ' LYS . 1.9 p-10 -120.93 171.37 8.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.384 0.611 . . . . 0.0 111.625 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.2 p -138.09 20.25 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.12 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.672 HD13 ' SG ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -117.18 128.89 25.71 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.65 -178.873 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.697 ' O ' ' N ' ' A' ' 10' ' ' SER . 15.6 Cg_endo -62.8 114.69 2.52 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 121.631 1.554 . . . . 0.0 111.303 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' A' ' 11' ' ' ARG . 43.7 pttt -33.96 -23.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.697 ' N ' ' O ' ' A' ' 8' ' ' PRO . 1.2 p -70.33 12.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.693 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' H ' ' C ' ' A' ' 9' ' ' LYS . 7.5 mtm-85 -126.57 -20.61 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.69 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.672 ' SG ' HD13 ' A' ' 7' ' ' ILE . 77.8 m -87.26 78.83 8.71 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.419 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -90.62 158.86 16.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 -179.381 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.07 -8.66 0.69 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.312 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.653 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -94.73 -33.52 12.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.868 179.829 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.484 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 44.5 mm-40 -86.41 -30.7 21.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.989 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.77 14.48 1.06 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.788 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.56 ' O ' ' NH2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -139.47 -33.06 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.806 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.653 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 1.9 m80 -82.88 -56.78 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.2 m -96.74 108.74 21.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.052 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.679 ' O ' ' N ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.588 ' O ' ' OG ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -40.34 -15.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.395 179.873 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.679 ' N ' ' O ' ' A' ' 21' ' ' NLE . 3.8 m-85 -81.79 -47.81 12.39 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.871 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -77.08 24.69 0.16 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.299 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.88 32.44 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.166 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.588 ' OG ' ' O ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -160.75 -70.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.422 0.63 . . . . 0.0 110.73 179.517 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.57 ' O ' HG22 ' A' ' 7' ' ' ILE . 85.8 m-85 -86.27 -43.57 12.83 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.454 -178.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 m -101.43 64.52 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.12 0.486 . . . . 0.0 109.838 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' A' ' 35' ' ' CYS . 5.3 mtp180 -73.76 36.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.773 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.677 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -176.98 -45.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.282 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.504 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -58.8 -44.33 90.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.593 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -74.1 4.68 5.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.501 179.056 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.4 37.14 65.03 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.529 HG21 ' C ' ' A' ' 24' ' ' ARG . 10.1 t -101.55 -36.95 8.6 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.138 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.622 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 40.2 t 31.16 -98.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.528 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' THR . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.997 -1.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -89.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.627 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.49 91.41 2.66 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.759 ' SG ' ' NH1' ' A' ' 29' ' ' ARG . 1.4 m -78.05 92.41 4.36 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.137 -179.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.855 ' N ' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -170.82 131.08 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.265 -179.49 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' PHE . 11.5 p-10 -83.13 169.94 15.3 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.629 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.505 HG23 HG23 ' A' ' 7' ' ' ILE . 3.2 t -138.39 -2.88 1.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.148 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.505 HG23 HG23 ' A' ' 6' ' ' THR . 1.6 pp -130.03 146.64 62.29 Favored Pre-proline 0 C--N 1.33 -0.252 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.045 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.522 ' C ' ' H ' ' A' ' 10' ' ' SER . 52.0 Cg_exo -42.16 119.75 1.36 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.759 2.306 . . . . 0.0 112.353 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' HB3' ' HZ1' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -61.45 1.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.311 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 8' ' ' PRO . 5.4 t -71.73 -28.07 63.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.427 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.415 ' O ' HG23 ' A' ' 13' ' ' THR . 1.7 mmp_? -77.56 -2.69 36.93 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.252 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.29 102.27 4.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.934 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.647 ' C ' ' H ' ' A' ' 15' ' ' PHE . 2.9 p -124.6 158.43 33.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.413 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.91 12.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.014 0.435 . . . . 0.0 110.145 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.647 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -117.33 -25.81 6.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.141 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -81.52 -39.74 24.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -0.32 12.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.68 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.69 -43.99 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.02 0.438 . . . . 0.0 110.418 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 16.6 m80 -83.4 -38.8 21.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.381 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.512 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 20.0 m -113.97 102.08 9.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.336 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.809 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -54.46 6.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.479 179.721 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.809 ' H ' ' C ' ' A' ' 21' ' ' NLE . 38.5 m-85 -104.46 -28.22 11.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.657 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.621 HH21 ' CD ' ' A' ' 21' ' ' NLE . 0.0 OUTLIER -97.16 5.86 49.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.67 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.593 HD23 ' NH1' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -157.59 27.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.074 179.722 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -160.43 -61.12 0.06 Allowed 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.236 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 2.2 m-85 -94.8 -67.18 0.87 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.245 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.544 ' C ' ' O ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -87.94 47.47 1.51 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.477 0.656 . . . . 0.0 110.364 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.855 ' NE ' ' N ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -81.1 31.53 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.189 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 31' ' ' THR . 8.4 pttm -151.46 -44.75 0.11 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.499 0.666 . . . . 0.0 109.753 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.529 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -71.39 -45.77 61.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.332 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.5 m -64.61 -6.61 8.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.267 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.99 24.15 62.36 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.583 ' OG1' ' O ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -78.65 -36.06 44.46 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.52 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.769 ' CB ' HH12 ' A' ' 29' ' ' ARG . 12.9 t -114.08 119.11 36.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.691 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.433 0 O-C-N 120.169 -1.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.784 ' O ' HD11 ' A' ' 4' ' ' ILE . 12.9 tpt85 -75.04 -35.97 61.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.35 -174.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.447 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 25.8 m -81.85 98.93 8.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.754 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.784 HD11 ' O ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER -150.8 150.76 13.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.3 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.566 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 13.0 p-10 -138.64 168.71 19.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.279 0.561 . . . . 0.0 111.246 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.7 p -119.47 20.17 12.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.129 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.716 HD12 ' HB3' ' A' ' 27' ' ' PHE . 6.4 tt -90.83 133.73 31.76 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.563 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.876 ' O ' ' N ' ' A' ' 10' ' ' SER . 15.9 Cg_endo -65.74 66.16 0.4 Allowed 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.85 1.7 . . . . 0.0 110.754 178.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.646 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER 12.02 -59.23 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 O-C-N 124.673 1.233 . . . . 0.0 112.61 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.876 ' N ' ' O ' ' A' ' 8' ' ' PRO . 5.2 m -54.67 5.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.298 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.646 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -103.32 -26.59 12.88 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.485 -179.516 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.7 t -86.48 103.24 14.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 111.228 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.432 ' C ' ' N ' ' A' ' 15' ' ' PHE . 3.3 p -115.41 155.68 26.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.432 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.72 -13.18 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.189 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.625 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -87.98 -42.84 12.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.551 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.531 ' OE1' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -67.1 -44.54 79.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.573 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.471 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -62.89 -2.71 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.673 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 16' ' ' GLN . 60.4 mttt -114.04 -36.66 4.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.096 0.474 . . . . 0.0 110.02 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.6 m80 -91.37 -10.57 40.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.48 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.662 ' OG ' ' NZ ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -134.64 112.74 11.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.537 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.482 ' CD ' ' N ' ' A' ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.662 ' NZ ' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -66.86 -7.17 19.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.135 0.493 . . . . 0.0 110.216 179.506 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -92.91 -39.18 11.3 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -68.13 -2.35 7.77 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.204 -179.631 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -166.86 39.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.949 -0.7 . . . . 0.0 112.01 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -160.78 -54.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.196 179.247 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.716 ' HB3' HD12 ' A' ' 7' ' ' ILE . 76.4 m-85 -101.06 -27.94 12.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.494 ' C ' ' H ' ' A' ' 30' ' ' LYS . 28.2 m -110.57 61.62 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.467 ' HA ' HG23 ' A' ' 34' ' ' THR . 0.6 OUTLIER -72.61 25.74 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.498 ' HD3' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -161.75 -37.05 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.881 0.372 . . . . 0.0 111.032 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.498 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -63.3 -44.21 95.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.917 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.86 18.14 15.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.202 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 42.64 35.91 2.21 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.558 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -85.17 4.51 34.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.721 0.296 . . . . 0.0 110.671 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 38.2 t -149.75 -17.62 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.458 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.106 -1.621 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.01 129.07 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.42 -10.63 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.415 . . . . 0.0 110.488 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.9 m -110.63 98.04 7.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.189 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.76 -163.16 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.127 0.489 . . . . 0.0 111.318 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.498 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 17.3 p-10 -161.29 166.97 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.42 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -134.31 -0.89 2.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.724 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.8 pt -147.09 148.08 31.09 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.338 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -42.32 135.15 4.41 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.637 2.225 . . . . 0.0 112.009 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' C ' ' H ' ' A' ' 11' ' ' ARG . 13.4 mtpp -56.16 -19.5 13.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.777 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 p -69.07 10.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.757 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.565 ' O ' HG23 ' A' ' 13' ' ' THR . 0.0 OUTLIER -105.66 -29.95 9.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.774 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 t -69.22 98.59 1.05 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.813 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.634 ' C ' ' H ' ' A' ' 15' ' ' PHE . 7.3 p -113.67 145.01 41.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.205 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.82 -4.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.049 0.452 . . . . 0.0 110.022 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.634 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -102.58 -27.75 12.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.392 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.538 ' O ' ' OG ' ' A' ' 20' ' ' SER . 15.9 mm100 -84.17 -39.94 18.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.558 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.602 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -65.86 -0.05 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.987 0.422 . . . . 0.0 110.124 179.713 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -119.73 -40.05 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.378 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.591 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.4 m80 -87.1 -34.66 19.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.852 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.596 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 42.3 p -106.79 126.06 51.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.474 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.71 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.499 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -65.99 18.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.587 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.71 ' H ' ' C ' ' A' ' 21' ' ' NLE . 9.0 m-85 -110.2 -49.33 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.799 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.602 ' NH1' ' O ' ' A' ' 17' ' ' CYS . 19.3 mtm-85 -67.14 -5.74 14.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.536 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 pp -162.76 42.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.528 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -161.17 -58.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.934 179.35 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 1.9 m-85 -100.27 -43.33 6.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.071 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.9 m -99.37 66.91 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 110.033 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.538 ' HA ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -80.13 15.65 1.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.049 -179.417 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HD2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -161.28 -34.65 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.871 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.52 ' H ' ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -65.36 -44.8 86.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.98 0.87 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.431 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.09 27.66 71.64 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.602 ' O ' ' O ' ' A' ' 35' ' ' CYS . 9.2 t -87.71 -44.81 10.89 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.446 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.602 ' O ' ' O ' ' A' ' 34' ' ' THR . 0.0 OUTLIER 23.86 -147.25 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.169 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.295 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' PFX . . . . . 0.528 ' CD1' ' OC ' ' A' ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 1' ' ' ARG . 0.0 OUTLIER -70.89 -167.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.703 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.402 ' H ' ' NH2' ' A' ' 1' ' ' ARG . 0.2 OUTLIER -133.73 23.87 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.237 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.8 m -135.95 105.05 5.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.201 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -157.95 135.78 2.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.841 0.353 . . . . 0.0 110.852 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -110.58 156.74 20.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.119 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.6 p -121.16 18.59 11.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.699 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.28 148.43 59.57 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.638 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -67.13 135.12 36.21 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.9 2.4 . . . . 0.0 112.197 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -15.02 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.707 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -53.51 -30.43 41.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.562 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.53 -18.72 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.416 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.78 90.05 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.475 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.421 ' C ' ' H ' ' A' ' 15' ' ' PHE . 2.4 p -107.67 166.2 10.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.673 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.43 -6.53 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.88 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.421 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -98.59 -49.5 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.044 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -62.61 -27.9 69.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.54 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.62 16.29 15.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.821 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -130.19 -34.17 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.315 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.416 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 7.6 m80 -93.58 -27.04 16.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.364 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.59 134.79 52.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.546 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.542 ' CD ' ' N ' ' A' ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.542 ' N ' ' CD ' ' A' ' 21' ' ' NLE . 0.1 OUTLIER -74.85 -6.49 49.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.806 0.336 . . . . 0.0 110.455 179.622 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' CYS . 9.0 m-85 -97.52 -32.92 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 1.02 ' O ' HD23 ' A' ' 25' ' ' LEU . 33.3 mtm180 -78.16 -12.8 60.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.487 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.02 HD23 ' O ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -148.91 37.99 0.81 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.833 -179.18 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -160.97 -51.94 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.7 179.598 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -101.44 -34.47 9.56 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.612 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.5 OUTLIER -111.18 67.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.015 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.587 HH21 ' C ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -85.26 43.21 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.115 179.25 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 31' ' ' THR . 6.8 pttm -170.32 -47.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.566 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.612 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -64.83 -55.26 20.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.203 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 9.51 0.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.86 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.545 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 50.44 30.22 18.71 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 109.766 -1.333 . . . . 0.0 109.766 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.575 HG21 ' O ' ' A' ' 24' ' ' ARG . 8.8 t -86.99 -28.2 22.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.73 0.3 . . . . 0.0 110.789 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -130.39 -41.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.491 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.479 0 O-C-N 120.197 -1.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' PFX . . . . . 0.414 ' HD2' ' CO ' ' A' ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.776 ' NH2' HH12 ' A' ' 29' ' ' ARG . 0.9 OUTLIER -158.38 -144.25 0.12 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.477 -179.805 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.622 ' H ' ' CD ' ' A' ' 1' ' ' ARG . 1.5 p -158.75 77.05 0.75 Allowed 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.187 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.7 t -78.91 66.52 4.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.831 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.74 137.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.976 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.518 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 1.5 m-20 -102.82 174.72 5.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.187 0.518 . . . . 0.0 110.757 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 6' ' ' THR . 4.4 t -148.48 20.12 1.06 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.469 -0.787 . . . . 0.0 108.907 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.618 ' O ' ' N ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -109.9 125.47 31.08 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.797 -178.766 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.694 ' O ' ' N ' ' A' ' 10' ' ' SER . 73.6 Cg_exo -36.7 84.25 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.167 1.912 . . . . 0.0 111.821 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.62 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -18.91 -43.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.625 -179.53 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.694 ' N ' ' O ' ' A' ' 8' ' ' PRO . 40.7 t -66.94 27.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.867 0.365 . . . . 0.0 110.787 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.62 ' H ' ' C ' ' A' ' 9' ' ' LYS . 10.3 mmt180 -128.19 -24.97 3.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.538 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.513 ' HB3' HG21 ' A' ' 31' ' ' THR . 5.5 t -72.1 87.2 1.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.901 0.382 . . . . 0.0 110.342 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.463 ' C ' ' H ' ' A' ' 15' ' ' PHE . 18.4 p -100.72 165.74 11.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.736 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.04 -1.03 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.113 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -101.55 -47.01 4.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.175 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.491 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 6.8 mm-40 -69.18 -33.6 73.62 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.397 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 20.8 t -83.21 12.61 5.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.867 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.11 -41.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.081 0.467 . . . . 0.0 110.484 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.442 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 3.2 m80 -85.94 -23.14 27.07 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.941 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.507 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 22.3 m -114.47 132.03 56.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.271 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -57.32 -17.02 10.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.258 179.523 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.507 ' CD1' ' HB2' ' A' ' 20' ' ' SER . 14.6 m-85 -76.52 -56.12 4.91 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.229 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.786 ' CD ' ' H ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -59.2 -8.28 1.54 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.341 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.665 ' C ' HH11 ' A' ' 29' ' ' ARG . 1.4 pp -151.13 32.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.54 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -161.51 -57.08 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.546 -0.461 . . . . 0.0 111.337 179.079 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 3.2 m-30 -97.21 -15.68 20.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.06 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.459 ' CB ' ' HG1' ' A' ' 31' ' ' THR . 89.7 m -130.49 58.23 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.248 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.776 HH12 ' NH2' ' A' ' 1' ' ' ARG . 5.9 mmm180 -77.54 33.87 0.17 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.516 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -178.66 -46.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.116 0.484 . . . . 0.0 110.68 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.537 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -43.9 -66.93 0.32 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.414 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 15.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.537 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 50.43 37.83 33.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -83.07 -34.07 26.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.693 0.283 . . . . 0.0 110.937 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.4 t -135.18 133.67 39.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.716 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.153 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.412 ' HG2' ' H ' ' A' ' 1' ' ' ARG . 22.9 mmm180 -45.66 118.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.672 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 173.12 31.66 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.931 ' O ' HD13 ' A' ' 4' ' ' ILE . 2.6 m -115.34 90.92 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.207 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.931 HD13 ' O ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -140.54 155.21 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.454 -179.625 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -85.24 162.64 19.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.337 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.0 p -129.89 -3.91 4.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.883 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 pp -133.87 150.94 75.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.552 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -40.57 117.86 0.54 Allowed 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.747 2.298 . . . . 0.0 112.234 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -53.21 -19.53 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.707 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -15.68 63.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -89.63 -6.51 56.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.2 t -101.48 83.24 2.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.598 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.415 ' OG1' ' CD2' ' A' ' 15' ' ' PHE . 2.0 p -88.46 161.9 16.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.727 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 -9.64 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.111 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.651 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -94.17 -39.71 10.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.073 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.475 ' NE2' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -67.99 -29.97 69.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.237 179.559 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.424 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -71.85 4.31 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.64 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.04 -36.59 1.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.91 0.386 . . . . 0.0 110.184 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.476 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 5.8 m80 -86.61 -14.45 42.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.293 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.41 ' OG ' ' NZ ' ' A' ' 22' ' ' LYS . 5.7 t -134.15 120.75 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.401 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.705 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -57.78 3.55 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.631 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.705 ' H ' ' C ' ' A' ' 21' ' ' NLE . 9.6 m-85 -104.36 -35.6 7.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.64 ' O ' HG21 ' A' ' 34' ' ' THR . 11.9 mtm180 -83.17 -5.61 59.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.281 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.767 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.2 pp -153.15 37.37 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.311 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -160.43 -55.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.957 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 3.6 m-30 -100.0 -40.16 7.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.44 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 1.8 m -104.66 68.56 0.86 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.01 0.434 . . . . 0.0 110.004 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.757 ' NH2' ' SG ' ' A' ' 3' ' ' CYS . 3.3 mmm180 -80.31 -0.82 38.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.034 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HZ3' ' HB2' ' A' ' 30' ' ' LYS . 1.8 mtmm -138.48 -43.16 0.49 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.563 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -54.53 -57.42 11.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -179.598 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.474 ' N ' HG22 ' A' ' 31' ' ' THR . 0.1 OUTLIER -71.31 15.79 0.11 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.83 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 42.47 42.48 4.54 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.64 HG21 ' O ' ' A' ' 24' ' ' ARG . 11.1 t -92.03 -8.84 44.83 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.969 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 0.7 OUTLIER -141.27 140.74 33.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.448 179.513 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.065 -1.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' PFX . . . . . 0.559 ' O ' ' N ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 1' ' ' ARG . 9.0 ttm180 -58.7 76.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.19 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.642 ' O ' ' NE ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -125.21 27.97 6.48 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.751 -179.79 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m -96.01 70.17 2.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -140.8 125.9 18.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.935 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.492 ' OD2' ' NZ ' ' A' ' 30' ' ' LYS . 2.3 p30 -108.09 163.56 13.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.183 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.4 p -142.8 28.36 1.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.357 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.552 ' O ' ' N ' ' A' ' 9' ' ' LYS . 1.1 tt -131.79 129.45 21.97 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.81 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.712 ' O ' ' N ' ' A' ' 10' ' ' SER . 5.5 Cg_exo -49.56 85.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 121.475 1.45 . . . . 0.0 111.261 179.189 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.636 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -11.8 -50.29 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.794 -179.343 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.712 ' N ' ' O ' ' A' ' 8' ' ' PRO . 8.0 m -49.47 0.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.506 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.636 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -102.21 -18.04 15.68 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.017 -179.614 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.7 m -80.57 95.54 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 0.0 110.495 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.72 159.02 15.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.635 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.98 -13.78 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.058 0.456 . . . . 0.0 109.775 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.703 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -92.04 -40.86 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.489 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.533 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -68.6 -31.98 71.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.309 0.576 . . . . 0.0 109.705 179.752 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.721 ' C ' HH11 ' A' ' 24' ' ' ARG . 3.4 m -71.22 25.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.559 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.829 ' N ' ' NH1' ' A' ' 24' ' ' ARG . 18.2 tttt -164.08 -18.53 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.656 0.614 . . . . 0.0 112.656 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.703 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.4 m80 -107.45 -12.87 15.22 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.728 ' C ' ' NH2' ' A' ' 24' ' ' ARG . 69.8 m -122.97 69.59 1.0 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.1 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.859 ' C ' HH21 ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.629 ' N ' ' O ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -70.98 32.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.049 -178.584 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.565 ' H ' ' C ' ' A' ' 21' ' ' NLE . 8.1 m-85 -120.01 -48.95 2.32 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.465 178.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.907 ' O ' HG21 ' A' ' 34' ' ' THR . 3.9 mtm-85 -63.36 -25.32 68.24 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.05 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.43 51.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.948 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.46 -60.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.1 0.476 . . . . 0.0 109.934 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.508 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 8.2 m-85 -100.64 -54.99 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.78 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.506 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 3.2 m -92.24 68.87 5.12 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.268 0.556 . . . . 0.0 110.185 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.671 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -67.46 -4.7 12.08 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.364 -179.365 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HE3' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -135.96 -46.44 0.65 Allowed 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.277 -179.382 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.654 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -50.32 -61.38 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.427 -178.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 97.5 m -53.19 -2.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.654 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 68.14 34.55 81.31 Favored Glycine 0 C--N 1.331 0.289 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.907 HG21 ' O ' ' A' ' 24' ' ' ARG . 8.1 t -91.14 -35.57 14.49 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.411 -0.515 . . . . 0.0 111.819 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.671 ' SG ' ' O ' ' A' ' 29' ' ' ARG . 0.8 OUTLIER -38.79 -41.09 0.69 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.149 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.481 0 O-C-N 120.252 -1.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 41.6 73.39 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.712 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -109.35 -0.3 19.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.196 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.629 ' SG ' ' O ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -108.1 97.78 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.334 -179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.481 ' HA ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -159.95 127.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.906 0.384 . . . . 0.0 110.946 -179.792 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.472 ' OD1' ' C ' ' A' ' 5' ' ' ASP . 35.1 p30 -82.02 160.47 23.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.305 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.4 p -131.65 11.91 4.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.309 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.964 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -131.2 150.4 76.4 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.378 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.69 ' O ' ' N ' ' A' ' 10' ' ' SER . 6.8 Cg_endo -54.6 105.45 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.747 2.298 . . . . 0.0 111.669 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.61 ' C ' ' H ' ' A' ' 11' ' ' ARG . 14.8 mtpp -33.35 -25.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.641 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.69 ' N ' ' O ' ' A' ' 8' ' ' PRO . 96.8 p -66.24 18.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.486 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.61 ' H ' ' C ' ' A' ' 9' ' ' LYS . 2.8 mmm-85 -118.7 -11.3 9.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.246 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.2 m -82.83 101.38 10.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.381 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.3 p -108.92 159.76 16.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.17 -7.62 0.87 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.073 0.463 . . . . 0.0 110.249 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 1.1 t80 -94.03 -32.94 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.331 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.705 ' NE2' ' CZ ' ' A' ' 23' ' ' TYR . 11.1 mm100 -76.55 -41.01 48.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.8 t -73.7 0.85 11.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.374 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -120.01 -35.98 3.37 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.668 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.469 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 6.1 m80 -105.23 -43.13 5.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.6 m -83.02 118.53 23.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.345 0.593 . . . . 0.0 110.208 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.59 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.5 pttm -61.1 -11.81 9.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.008 0.432 . . . . 0.0 110.405 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.705 ' CZ ' ' NE2' ' A' ' 16' ' ' GLN . 6.8 m-85 -82.78 -43.72 16.4 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.321 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HG2' ' SG ' ' A' ' 32' ' ' CYS . 22.3 mtm-85 -73.73 10.41 1.13 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.956 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -170.17 31.86 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 120.074 -0.65 . . . . 0.0 112.41 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -159.92 -62.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.305 179.094 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.612 ' HB3' HD12 ' A' ' 7' ' ' ILE . 25.3 m-85 -100.04 -14.04 18.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.328 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.653 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -138.19 38.81 2.31 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.478 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.646 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -68.64 36.08 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.612 -178.722 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.585 ' CG ' ' N ' ' A' ' 31' ' ' THR . 2.5 pttp -166.69 -49.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.214 0.531 . . . . 0.0 110.555 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.612 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -51.73 -52.27 49.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.898 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.459 ' SG ' ' HG2' ' A' ' 24' ' ' ARG . 90.8 m -61.32 3.35 0.11 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.762 178.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.612 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 61.29 33.02 82.91 Favored Glycine 0 N--CA 1.462 0.397 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 -179.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.552 HG21 ' HA ' ' A' ' 29' ' ' ARG . 1.2 t -76.7 -48.97 17.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.667 0.27 . . . . 0.0 110.894 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.43 ' N ' HG23 ' A' ' 34' ' ' THR . 0.1 OUTLIER -68.89 -41.99 77.54 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.789 -179.649 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.314 -1.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.468 ' HD2' HD11 ' A' ' 4' ' ' ILE . 6.3 mmm-85 48.85 77.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.622 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.39 -30.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.461 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.448 ' C ' ' CG1' ' A' ' 4' ' ' ILE . 2.0 t -86.81 87.52 7.47 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.006 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.581 ' O ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -154.17 144.25 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.055 0.455 . . . . 0.0 110.888 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -137.04 164.99 27.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.196 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -153.96 15.08 0.48 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -130.06 131.05 23.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.538 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -42.75 140.72 2.78 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.417 2.078 . . . . 0.0 112.031 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 1.5 mppt? -62.13 -11.58 15.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.958 0.409 . . . . 0.0 110.205 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.42 -27.38 68.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.644 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -85.16 -19.48 31.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.642 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.12 92.99 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.25 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.441 ' C ' ' H ' ' A' ' 15' ' ' PHE . 7.3 p -110.98 169.25 8.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.74 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.63 -3.28 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.861 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.441 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -97.49 -48.15 5.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.861 179.616 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.561 ' OE1' ' CZ ' ' A' ' 23' ' ' TYR . 3.6 mm-40 -73.37 -34.94 65.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.123 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.666 ' C ' HH11 ' A' ' 24' ' ' ARG . 0.5 OUTLIER -86.52 19.05 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.44 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.748 ' N ' ' NH1' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -135.19 -36.1 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.399 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.697 ' C ' HH22 ' A' ' 24' ' ' ARG . 0.4 OUTLIER -97.7 -27.81 14.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.622 ' N ' HH12 ' A' ' 24' ' ' ARG . 0.2 OUTLIER -109.78 118.89 37.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.463 179.807 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.708 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.615 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -60.89 7.12 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.254 0.55 . . . . 0.0 110.239 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.708 ' H ' ' C ' ' A' ' 21' ' ' NLE . 5.2 m-85 -112.17 -59.43 2.0 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.864 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.748 ' NH1' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.04 8.72 0.68 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.802 -179.084 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.999 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -147.21 15.42 1.16 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.791 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.581 ' O ' ' O ' ' A' ' 4' ' ' ILE . 5.2 m -152.9 -65.64 0.16 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.432 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.481 ' CZ ' ' HD2' ' A' ' 22' ' ' LYS . 14.3 m-85 -88.61 -38.13 15.08 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.086 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.675 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER -89.69 59.54 4.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.392 0.615 . . . . 0.0 110.293 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 1.7 mmm180 -82.73 15.43 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.72 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.502 ' N ' ' CD ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -146.51 -38.07 0.23 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.03 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.675 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -64.97 -67.49 0.43 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.553 -179.745 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.43 ' SG ' ' HB3' ' A' ' 24' ' ' ARG . 1.3 m -63.28 13.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.438 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.64 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 46.97 38.37 10.38 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 28' ' ' CYS . 14.1 t -93.97 2.46 56.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.568 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 44.7 t -178.24 -1.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 O-C-N 120.028 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.589 ' C ' ' H ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -66.12 -161.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.466 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 66.17 -12.75 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.347 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.876 ' O ' HG23 ' A' ' 4' ' ' ILE . 1.3 m -108.82 94.69 5.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.321 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.876 HG23 ' O ' ' A' ' 3' ' ' CYS . 5.6 pt -168.91 140.64 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.172 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -95.4 165.53 12.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.878 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.447 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.4 OUTLIER -142.23 8.02 1.8 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.414 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.02 152.1 71.34 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.328 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.522 ' C ' ' H ' ' A' ' 10' ' ' SER . 34.0 Cg_endo -67.34 141.66 57.29 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.974 2.449 . . . . 0.0 111.952 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -63.25 5.03 0.17 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.707 -179.837 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -72.91 -25.27 61.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.869 179.455 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -92.33 -13.01 30.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.318 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 t -80.69 96.48 6.91 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.801 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.61 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.3 p -105.09 159.93 15.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.625 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.27 11.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.961 0.41 . . . . 0.0 110.592 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.64 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -122.96 -27.76 4.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.351 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -71.28 -40.93 70.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.971 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.458 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -82.39 8.85 10.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.266 179.87 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.484 ' HB3' ' ND1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -114.93 -28.07 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.417 179.55 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.611 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 0.3 OUTLIER -108.43 -30.25 8.39 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.387 -179.793 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -105.67 115.68 30.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.642 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.721 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 26' ' ' SER . 0.0 OUTLIER -47.63 -4.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.178 179.689 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.721 ' H ' ' C ' ' A' ' 21' ' ' NLE . 3.7 m-85 -102.38 -33.28 9.62 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.465 ' HG2' ' SG ' ' A' ' 32' ' ' CYS . 5.6 mtm180 -82.87 10.53 7.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.395 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -176.12 43.46 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.09 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -161.24 -66.01 0.06 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.32 0.581 . . . . 0.0 110.467 179.105 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -100.91 -62.21 1.27 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.356 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.495 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 65.8 m -82.13 47.35 1.11 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.405 178.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.652 ' CD ' ' N ' ' A' ' 4' ' ' ILE . 0.8 OUTLIER -78.18 11.5 2.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.953 -179.084 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.486 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -131.85 -38.18 1.14 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.078 0.466 . . . . 0.0 109.835 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.489 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -63.32 -46.36 87.01 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.504 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.465 ' SG ' ' HG2' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -74.95 10.87 1.26 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.378 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 44.73 42.0 7.4 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.516 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 5.7 t -94.26 -31.07 14.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.977 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.502 ' CB ' HH21 ' A' ' 29' ' ' ARG . 13.4 t -125.33 31.35 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.577 0 O-C-N 120.245 -1.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' PFX . . . . . 0.405 ' HNH' ' H1B' ' A' ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 1' ' ' ARG . 3.4 mtp85 -84.07 -31.28 25.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.492 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.98 -164.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.491 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.1 m -110.05 67.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.741 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -156.7 150.28 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.968 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.484 ' CB ' ' HA ' ' A' ' 27' ' ' PHE . 2.8 t70 -134.39 -177.69 4.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.591 0.71 . . . . 0.0 112.572 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.442 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 47.4 p -87.61 24.56 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.772 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 7' ' ' ILE . 9.0 tt -103.35 123.84 40.25 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.188 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 10' ' ' SER . 68.1 Cg_endo -79.11 138.03 14.05 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.423 2.082 . . . . 0.0 110.949 178.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.22 -17.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.167 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 8' ' ' PRO . 2.9 t -82.06 22.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.192 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -133.42 -11.61 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.33 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.86 99.84 10.68 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.537 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.545 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.4 p -114.8 163.62 15.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.3 0.94 0.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.508 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.545 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -109.79 -37.11 5.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.066 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 1.4 tp60 -74.61 -46.82 35.96 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.81 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 8.63 1.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.366 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -122.18 -37.25 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.652 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.534 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 3.1 m80 -88.02 -60.3 2.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.299 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.676 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 92.8 p -82.47 89.79 6.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.94 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.674 ' O ' ' N ' ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.645 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -37.65 -27.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.007 -0.677 . . . . 0.0 109.794 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.676 ' CD1' ' OG ' ' A' ' 20' ' ' SER . 23.2 m-85 -70.98 -39.08 72.69 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.92 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.674 ' N ' ' O ' ' A' ' 21' ' ' NLE . 1.9 mtm180 -69.81 -14.04 62.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.552 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.58 44.92 0.46 Allowed 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.295 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.698 ' OG ' ' CD2' ' A' ' 27' ' ' PHE . 3.1 p -160.28 -64.77 0.07 Allowed 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.298 0.571 . . . . 0.0 110.453 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.698 ' CD2' ' OG ' ' A' ' 26' ' ' SER . 96.3 m-85 -90.16 -53.98 4.23 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.706 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.495 ' SG ' HD13 ' A' ' 7' ' ' ILE . 73.0 m -90.26 65.61 6.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.244 0.545 . . . . 0.0 110.232 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 mmm-85 -77.75 15.56 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.178 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HD2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -153.24 -36.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.999 -179.731 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.548 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -60.69 -60.61 3.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.153 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 5.71 0.22 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.948 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.548 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 59.11 27.29 62.34 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -74.06 -21.88 59.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.825 0.345 . . . . 0.0 110.41 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.2 t -157.86 132.84 8.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.468 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.068 -1.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' PFX . . . . . 0.536 ' O ' ' C ' ' A' ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.605 ' HE ' ' CA ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER 28.82 74.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.648 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -155.8 101.11 2.11 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.758 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -79.83 104.71 10.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.989 179.646 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.98 134.52 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 1.6 p30 -87.22 174.51 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.625 HG23 HG22 ' A' ' 7' ' ' ILE . 5.8 t -142.03 10.79 1.97 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.786 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.625 HG22 HG23 ' A' ' 6' ' ' THR . 0.1 OUTLIER -140.73 159.6 61.96 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.461 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.592 ' O ' ' N ' ' A' ' 10' ' ' SER . 12.0 Cg_endo -58.75 100.26 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.743 2.295 . . . . 0.0 112.182 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' CB ' ' HZ3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -45.23 -9.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.962 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.592 ' N ' ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -73.52 0.75 11.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.844 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.85 -0.44 19.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' SG ' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -75.0 83.14 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.186 179.576 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.585 ' C ' ' H ' ' A' ' 15' ' ' PHE . 16.0 p -84.77 155.22 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.585 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.16 4.95 0.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.064 0.459 . . . . 0.0 109.887 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.604 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -113.44 -29.55 7.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.641 -179.649 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.476 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 22.8 mm-40 -75.25 -38.58 60.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.372 . . . . 0.0 110.459 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.8 t -81.36 20.73 0.83 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.643 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -138.52 -36.16 0.58 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.995 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.604 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 5.9 m80 -96.97 -29.39 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.56 136.25 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.767 179.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.746 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.501 ' HG3' ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -67.3 25.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.36 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.746 ' H ' ' C ' ' A' ' 21' ' ' NLE . 1.1 m-85 -121.95 -43.04 2.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.427 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 34' ' ' THR . 23.1 mtm180 -70.41 -9.81 57.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.972 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HA ' ' HE ' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -161.3 45.14 0.17 Allowed 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.231 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.22 -58.84 0.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.535 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 3.6 m-85 -100.12 -59.75 1.65 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.19 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.654 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 1.7 m -91.04 62.05 4.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HE ' ' HA ' ' A' ' 25' ' ' LEU . 2.1 mmp_? -66.97 6.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.548 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -153.25 -41.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.947 -179.409 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.654 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -46.49 -50.97 16.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.392 -179.779 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 60.8 m -79.58 19.23 0.65 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.257 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 52.29 36.83 46.42 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.567 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -78.22 -47.85 17.09 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.922 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.529 ' C ' ' O ' ' A' ' 34' ' ' THR . 3.2 t -29.14 -74.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.612 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.503 0 O-C-N 120.123 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 1' ' ' ARG . 0.3 OUTLIER -104.62 -41.65 5.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.153 -179.555 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.662 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 p -88.52 36.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.053 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.662 ' SG ' ' O ' ' A' ' 2' ' ' SER . 87.5 m -160.66 71.64 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.906 0.384 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.485 ' N ' ' HG2' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -152.55 129.44 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.184 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.11 157.5 17.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.199 0.523 . . . . 0.0 110.591 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.478 ' C ' ' CG2' ' A' ' 7' ' ' ILE . 41.3 p -136.32 6.34 3.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.556 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.538 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -153.59 157.09 32.73 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.434 -178.426 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.63 ' C ' ' H ' ' A' ' 10' ' ' SER . 42.4 Cg_endo -74.39 155.06 46.01 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.403 2.069 . . . . 0.0 111.137 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -0.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.744 0.307 . . . . 0.0 111.105 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.63 ' H ' ' C ' ' A' ' 8' ' ' PRO . 13.6 t -80.92 -5.36 57.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.43 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.48 -2.49 16.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.34 96.81 7.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.51 ' C ' ' H ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -101.98 159.47 15.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.391 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.41 1.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.358 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.51 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -106.89 -30.81 8.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.365 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.673 ' NE2' ' CZ ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -83.33 -37.74 23.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.438 179.821 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 44.6 t -76.63 21.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.543 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 16' ' ' GLN . 5.8 tmtm? -139.1 -35.57 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.639 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.497 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 3.9 m80 -98.8 -41.17 7.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.584 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.409 ' HG ' ' CD ' ' A' ' 16' ' ' GLN . 75.7 m -85.63 119.95 26.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.518 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.691 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -68.38 30.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.49 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.691 ' H ' ' C ' ' A' ' 21' ' ' NLE . 3.5 m-85 -127.78 -47.52 1.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' NH2' ' CD ' ' A' ' 21' ' ' NLE . 0.0 OUTLIER -73.24 9.46 1.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.41 179.796 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.455 HD12 ' C ' ' A' ' 25' ' ' LEU . 2.7 pp -162.41 29.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.471 ' O ' ' O ' ' A' ' 4' ' ' ILE . 3.2 m -160.53 -62.91 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.729 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -81.53 -46.13 14.92 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.522 ' C ' ' H ' ' A' ' 30' ' ' LYS . 2.1 m -112.55 53.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.316 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.68 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -72.3 34.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.386 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.555 ' HB3' HH21 ' A' ' 29' ' ' ARG . 2.4 pptp? -175.19 -47.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.314 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.457 ' N ' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -50.2 -30.61 11.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.281 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.9 m -102.43 19.28 19.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.221 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.83 38.19 59.13 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -91.86 -51.86 5.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.65 0.262 . . . . 0.0 110.662 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.591 ' O ' ' O ' ' A' ' 29' ' ' ARG . 22.6 t -131.15 96.3 4.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.648 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.474 0 O-C-N 120.086 -1.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.2 mtm-85 -87.42 158.2 19.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.704 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p 179.44 47.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.276 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.824 ' C ' HD13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -149.67 23.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.656 -179.713 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.824 HD13 ' C ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -137.91 141.57 38.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.904 0.383 . . . . 0.0 110.664 -179.811 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -113.77 164.5 13.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.662 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.81 7.76 2.09 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.445 ' CG1' ' HB3' ' A' ' 27' ' ' PHE . 1.8 pp -137.6 150.24 67.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.397 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -52.53 143.59 44.88 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.658 2.239 . . . . 0.0 111.952 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' C ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -67.43 -26.02 66.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.484 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.7 p -48.99 -42.56 38.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.051 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.628 ' CG ' HH11 ' A' ' 11' ' ' ARG . 0.0 OUTLIER -76.72 3.47 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.558 -179.797 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.488 ' SG ' HG21 ' A' ' 31' ' ' THR . 35.7 t -101.28 94.54 5.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.854 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.601 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.8 p -107.65 149.45 28.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.329 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.31 -3.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.049 0.452 . . . . 0.0 110.206 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.71 ' CZ ' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -96.11 -39.78 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.036 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.71 ' NE2' ' CZ ' ' A' ' 15' ' ' PHE . 23.5 mm-40 -72.08 -33.3 67.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.307 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.675 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 1.9 t -74.18 1.79 10.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.518 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -121.0 -38.26 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.568 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.8 m80 -85.0 -12.36 53.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.809 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.568 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 14.6 m -119.03 150.71 39.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.707 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' NLE . . . . . 0.436 ' HD3' HH22 ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.525 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -94.46 37.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.105 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.653 ' O ' ' N ' ' A' ' 28' ' ' CYS . 10.6 m-85 -124.1 -47.87 1.88 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.997 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.882 ' O ' HG21 ' A' ' 34' ' ' THR . 71.4 mtm-85 -67.38 -22.62 65.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.627 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.418 HD23 ' HB2' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -136.6 38.66 2.65 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.777 -178.6 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.505 ' O ' ' O ' ' A' ' 4' ' ' ILE . 1.3 m -160.34 -69.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.176 0.512 . . . . 0.0 110.569 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.525 ' CD2' ' O ' ' A' ' 22' ' ' LYS . 2.3 m-85 -93.16 -54.38 3.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.347 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.653 ' N ' ' O ' ' A' ' 23' ' ' TYR . 77.0 m -95.4 50.76 1.26 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.877 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.797 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -79.84 18.08 0.85 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.626 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 31' ' ' THR . 14.9 pttm -149.67 -47.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.105 0.479 . . . . 0.0 111.128 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.557 ' C ' ' H ' ' A' ' 33' ' ' GLY . 1.1 m -47.12 -55.88 7.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.337 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.72 18.43 0.08 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.008 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 48.33 40.33 22.52 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.882 HG21 ' O ' ' A' ' 24' ' ' ARG . 8.5 t -87.94 -40.04 14.25 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.318 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 1.1 t -112.98 -173.08 2.18 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.614 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 120.028 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.566 ' OD1' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 121.101 0.477 . . . . 0.0 111.072 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.2 p -116.53 -11.57 11.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.486 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.9 146.79 36.86 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.435 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.546 ' O ' ' N ' ' A' ' 10' ' ' SER . 51.6 Cg_exo -44.48 106.55 0.08 OUTLIER 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.544 2.163 . . . . 0.0 111.956 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -37.84 -26.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.427 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 8' ' ' PRO . 10.5 t -63.21 2.16 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.118 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 13' ' ' THR . 11.7 mmt180 -100.35 -26.72 13.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.48 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.0 t -73.32 97.38 2.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.376 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 11' ' ' ARG . 2.3 p -103.93 160.35 14.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.769 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.94 -9.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.071 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.42 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -91.78 -38.91 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.018 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.496 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -71.5 -33.28 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.165 179.611 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.508 ' SG ' ' CG ' ' A' ' 24' ' ' ARG . 16.5 t -79.57 7.52 8.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.699 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -128.84 -34.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.516 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.496 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 2.2 m80 -98.43 -37.3 9.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.652 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.734 ' HB2' ' HZ2' ' A' ' 22' ' ' LYS . 5.9 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.364 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.734 ' HZ2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 120.994 0.426 . . . . 0.0 110.188 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.645 ' O ' ' CB ' ' A' ' 28' ' ' CYS . 3.8 m-85 -78.99 -41.02 30.04 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.295 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.508 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 2.5 mtp180 -80.87 7.13 11.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.417 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.94 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -161.72 29.17 0.13 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.115 -0.634 . . . . 0.0 111.944 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.599 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -158.35 -57.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.666 179.085 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.566 ' O ' ' OD1' ' A' ' 5' ' ' ASP . 39.5 m-85 -101.44 -44.03 5.74 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.645 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -93.16 66.72 4.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.088 0.471 . . . . 0.0 110.577 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.455 ' HA ' ' CG2' ' A' ' 34' ' ' THR . 0.1 OUTLIER -92.66 44.67 1.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.206 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.518 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 2.6 pptp? -177.36 -47.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.014 0.435 . . . . 0.0 110.79 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.635 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -59.22 -51.38 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.806 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 93.6 m -71.74 5.7 2.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.661 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 55.91 33.4 60.23 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.455 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 9.6 t -84.69 -11.97 54.8 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.607 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 43.4 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.368 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 121.201 0.524 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.9 p -121.71 -20.76 6.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.264 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 11' ' ' ARG . 10.3 pt -101.65 148.68 35.6 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.915 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.703 ' O ' ' N ' ' A' ' 10' ' ' SER . 37.4 Cg_endo -70.03 127.32 14.22 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.228 1.952 . . . . 0.0 111.61 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -29.12 -30.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.955 -179.741 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.703 ' N ' ' O ' ' A' ' 8' ' ' PRO . 8.1 t -54.39 -0.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.961 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.576 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -109.24 0.76 19.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.67 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -105.19 108.47 20.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.526 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.547 ' C ' ' H ' ' A' ' 15' ' ' PHE . 11.2 p -111.26 160.63 16.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.444 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.32 -0.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.667 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -104.71 -42.41 5.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.322 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.545 ' O ' ' OG ' ' A' ' 20' ' ' SER . 10.8 mm-40 -74.24 -53.09 10.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.372 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.674 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 5.2 t -64.09 5.31 0.25 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.802 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 16' ' ' GLN . 4.9 ttmm -127.34 -39.25 1.89 Allowed 'General case' 1 C--O 1.567 17.797 1 CA-C-O 149.622 14.058 . . . . 0.0 111.028 -179.906 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.667 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 13.6 m80 -92.86 -23.47 18.79 Favored 'General case' 0 N--CA 1.449 -0.507 1 O-C-N 89.605 -20.684 . . . . 0.0 110.625 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.545 ' OG ' ' O ' ' A' ' 16' ' ' GLN . 63.9 p . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.934 0.397 . . . . 0.0 110.702 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.179 0 CA-C-O 120.569 0.224 . . . . 0.0 110.516 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.698 ' O ' ' N ' ' A' ' 28' ' ' CYS . 3.9 m-85 -106.17 -46.37 4.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.087 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' HG21 ' A' ' 34' ' ' THR . 7.8 mtm180 -75.58 -4.26 38.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.228 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 pp -145.82 26.07 1.27 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.498 -0.481 . . . . 0.0 112.146 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -151.96 -63.24 0.17 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.966 0.412 . . . . 0.0 110.296 179.346 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.05 -52.04 4.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.172 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.698 ' N ' ' O ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -89.28 35.82 0.82 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.722 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -71.57 28.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.99 -179.362 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 28' ' ' CYS . 1.4 pttp -162.31 -47.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.397 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.641 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -53.24 -54.37 37.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.629 -179.267 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.8 m -65.57 20.45 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.32 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.641 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 47.9 31.62 8.03 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -75.06 -54.66 6.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.145 -0.527 . . . . 0.0 110.97 -179.422 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.426 ' H ' HG23 ' A' ' 34' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.655 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.625 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 121.068 0.461 . . . . 0.0 111.643 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 5' ' ' ASP . 46.3 p -159.82 32.58 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.035 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.573 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -122.53 122.87 27.18 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.434 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.652 ' O ' ' N ' ' A' ' 10' ' ' SER . 50.0 Cg_exo -41.99 93.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 121.979 1.786 . . . . 0.0 111.495 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.603 ' C ' ' H ' ' A' ' 11' ' ' ARG . 1.4 mttt -21.97 -41.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.363 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.652 ' N ' ' O ' ' A' ' 8' ' ' PRO . 7.9 t -67.39 27.17 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.789 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.603 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.29 -25.34 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.692 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.0 t -76.58 100.35 5.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.533 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.498 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.7 p -105.52 150.83 24.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.59 -10.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.049 0.452 . . . . 0.0 110.018 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.774 ' CE2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -91.81 -36.65 13.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.382 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.774 ' NE2' ' CE2' ' A' ' 15' ' ' PHE . 1.1 tp-100 -79.07 -34.46 43.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.538 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -78.55 23.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -146.83 -35.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.587 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 1.7 m80 -84.87 -41.89 15.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.637 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.614 0.245 . . . . 0.0 111.392 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.705 ' O ' ' N ' ' A' ' 28' ' ' CYS . 4.1 m-85 -104.36 -45.03 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.203 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.955 ' O ' HG21 ' A' ' 34' ' ' THR . 0.0 OUTLIER -84.05 9.55 12.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.419 179.308 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 24' ' ' ARG . 10.5 mt -140.27 11.2 2.35 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.4 m -160.17 -56.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.9 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -89.89 -56.62 3.16 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.469 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.705 ' N ' ' O ' ' A' ' 23' ' ' TYR . 47.3 m -91.81 36.73 0.96 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.501 ' HA ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -62.52 9.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.413 -179.289 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.558 ' H ' ' C ' ' A' ' 28' ' ' CYS . 12.4 pttm -139.82 -44.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.169 0.509 . . . . 0.0 110.37 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -47.94 -55.89 8.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.771 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 33' ' ' GLY . 4.0 m -76.68 21.79 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.473 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 38.57 44.19 1.72 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.955 HG21 ' O ' ' A' ' 24' ' ' ARG . 9.0 t -90.89 -35.73 14.58 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.453 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 29' ' ' ARG . 20.6 t . . . . . 0 C--N 1.33 -0.261 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.525 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.764 0.316 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.2 t -145.3 8.42 1.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.825 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.429 ' CG1' ' HB3' ' A' ' 27' ' ' PHE . 1.2 pt -133.85 150.49 74.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.548 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' SER . 46.1 Cg_endo -70.64 140.21 38.85 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.796 2.331 . . . . 0.0 112.104 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.602 ' C ' ' H ' ' A' ' 11' ' ' ARG . 5.1 mtmt -46.37 -16.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.942 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' PRO . 58.4 m -58.22 4.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.737 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.602 ' H ' ' C ' ' A' ' 9' ' ' LYS . 9.4 mtt85 -127.57 2.61 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.5 104.73 16.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.259 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.562 ' C ' ' H ' ' A' ' 15' ' ' PHE . 2.2 p -116.64 163.36 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.739 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.83 10.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.156 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.588 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -118.3 -23.41 7.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.253 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.607 ' OE1' ' CZ ' ' A' ' 23' ' ' TYR . 36.9 mm-40 -86.47 -46.59 10.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.943 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -60.57 0.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.039 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 16' ' ' GLN . 29.0 ttmt -125.14 -38.2 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.634 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.588 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.7 m80 -84.45 -46.15 11.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.357 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.675 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 78.8 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.12 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.668 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.799 0.333 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.675 ' CD1' ' OG ' ' A' ' 20' ' ' SER . 11.1 m-85 -127.45 -50.08 1.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.451 ' O ' HG21 ' A' ' 34' ' ' THR . 6.3 mtm-85 -78.48 17.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.377 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' H ' ' C ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -173.7 35.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.63 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.58 -67.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.092 0.473 . . . . 0.0 110.134 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.668 ' CD2' ' O ' ' A' ' 22' ' ' LYS . 1.8 m-85 -100.58 -56.61 2.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.36 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.456 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER -88.97 56.21 3.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.205 0.526 . . . . 0.0 110.198 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.713 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -93.44 28.89 2.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.452 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -151.51 -35.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.95 179.627 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.456 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -68.07 -44.92 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.699 179.382 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -2.59 37.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.136 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.73 31.42 78.35 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.451 HG21 ' O ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -78.67 -12.18 60.01 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.641 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 43.2 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.671 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.611 ' OD1' ' O ' ' A' ' 26' ' ' SER . 0.2 OUTLIER . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.478 0.656 . . . . 0.0 111.428 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.1 p -143.48 15.1 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.626 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.635 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -146.75 158.41 45.94 Favored Pre-proline 0 N--CA 1.456 -0.166 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.859 -179.446 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' A' ' 10' ' ' SER . 50.8 Cg_endo -73.39 144.37 36.44 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 122.795 2.33 . . . . 0.0 111.457 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.525 ' HG2' ' HZ3' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -53.36 -10.41 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.55 -179.73 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 8' ' ' PRO . 74.8 p -71.78 8.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.98 -3.78 6.38 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 27' ' ' PHE . 11.5 m -106.72 85.94 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.838 0.351 . . . . 0.0 110.448 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.637 ' C ' ' H ' ' A' ' 15' ' ' PHE . 4.5 p -87.94 164.24 15.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.688 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.71 13.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.637 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -127.27 -45.03 1.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.244 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.478 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 6.3 tp60 -58.14 -34.22 70.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.974 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.65 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 7.6 p -96.35 16.76 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HB3' ' ND1' ' A' ' 19' ' ' HIS . 12.3 tttm -118.0 -26.08 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.357 . . . . 0.0 110.695 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.575 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -107.0 -38.98 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.71 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.603 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 26' ' ' SER . 0.6 OUTLIER . . . . . 0 CA--C 1.523 -0.07 0 CA-C-O 120.992 0.425 . . . . 0.0 110.49 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.702 ' O ' ' N ' ' A' ' 28' ' ' CYS . 13.1 m-85 -103.61 -23.73 13.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.096 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.936 ' O ' HG21 ' A' ' 34' ' ' THR . 7.2 mtm105 -89.71 -20.32 23.74 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.328 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.2 pp -128.86 26.92 5.5 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.147 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.611 ' O ' ' OD1' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -157.47 -54.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.583 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.61 ' O ' ' OD2' ' A' ' 5' ' ' ASP . 3.8 m-85 -100.35 -21.5 15.4 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.693 -0.403 . . . . 0.0 112.061 -178.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.702 ' N ' ' O ' ' A' ' 23' ' ' TYR . 1.8 m -130.61 51.06 2.15 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.414 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.685 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -77.4 39.1 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.836 179.665 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HZ3' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -172.77 -44.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.684 -179.372 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.63 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -58.46 -61.22 2.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.637 -179.618 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.65 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -63.83 11.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.948 0.404 . . . . 0.0 110.213 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.63 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 54.41 31.75 51.52 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.936 HG21 ' O ' ' A' ' 24' ' ' ARG . 9.8 t -76.17 -33.34 59.35 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.519 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.445 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.677 ' OD2' ' NZ ' ' A' ' 30' ' ' LYS . 1.9 p-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.384 0.611 . . . . 0.0 111.625 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.2 p -138.09 20.25 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.12 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.672 HD13 ' SG ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -117.18 128.89 25.71 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.65 -178.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.697 ' O ' ' N ' ' A' ' 10' ' ' SER . 15.6 Cg_endo -62.8 114.69 2.52 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 121.631 1.554 . . . . 0.0 111.303 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' A' ' 11' ' ' ARG . 43.7 pttt -33.96 -23.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.697 ' N ' ' O ' ' A' ' 8' ' ' PRO . 1.2 p -70.33 12.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.693 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.491 ' H ' ' C ' ' A' ' 9' ' ' LYS . 7.5 mtm-85 -126.57 -20.61 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.69 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.672 ' SG ' HD13 ' A' ' 7' ' ' ILE . 77.8 m -87.26 78.83 8.71 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.419 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -90.62 158.86 16.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 -179.381 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.07 -8.66 0.69 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.312 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.653 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -94.73 -33.52 12.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.868 179.829 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.61 ' NE2' ' CZ ' ' A' ' 23' ' ' TYR . 8.0 mm100 -86.41 -30.7 21.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.989 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.77 14.48 1.06 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.788 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.56 ' O ' ' NH2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -139.47 -33.06 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.806 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.653 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 1.9 m80 -82.88 -56.78 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.052 179.651 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.588 ' O ' ' OG ' ' A' ' 26' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.169 0 CA-C-O 120.792 0.329 . . . . 0.0 110.395 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CZ ' ' NE2' ' A' ' 16' ' ' GLN . 3.8 m-85 -81.79 -47.81 12.39 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.871 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -77.08 24.69 0.16 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.299 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.88 32.44 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.166 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.588 ' OG ' ' O ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -160.75 -70.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.422 0.63 . . . . 0.0 110.73 179.517 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.57 ' O ' HG22 ' A' ' 7' ' ' ILE . 85.8 m-85 -86.27 -43.57 12.83 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.454 -178.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 m -101.43 64.52 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.12 0.486 . . . . 0.0 109.838 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' A' ' 35' ' ' CYS . 5.3 mtp180 -73.76 36.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.773 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.677 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -176.98 -45.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.282 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.504 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -58.8 -44.33 90.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.593 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -74.1 4.68 5.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.501 179.056 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.4 37.14 65.03 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.529 HG21 ' C ' ' A' ' 24' ' ' ARG . 10.1 t -101.55 -36.95 8.6 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.138 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.509 ' C ' ' O ' ' A' ' 34' ' ' THR . 40.2 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.528 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' PHE . 11.5 p-10 . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 120.85 0.357 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.505 HG23 HG23 ' A' ' 7' ' ' ILE . 3.2 t -138.39 -2.88 1.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.148 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.505 HG23 HG23 ' A' ' 6' ' ' THR . 1.6 pp -130.03 146.64 62.29 Favored Pre-proline 0 C--N 1.33 -0.252 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.045 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.522 ' C ' ' H ' ' A' ' 10' ' ' SER . 52.0 Cg_exo -42.16 119.75 1.36 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.759 2.306 . . . . 0.0 112.353 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.431 ' HB3' ' HZ1' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -61.45 1.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.311 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 8' ' ' PRO . 5.4 t -71.73 -28.07 63.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.427 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.415 ' O ' HG23 ' A' ' 13' ' ' THR . 1.7 mmp_? -77.56 -2.69 36.93 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.252 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.29 102.27 4.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.934 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.647 ' C ' ' H ' ' A' ' 15' ' ' PHE . 2.9 p -124.6 158.43 33.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.413 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.91 12.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.014 0.435 . . . . 0.0 110.145 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.647 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -117.33 -25.81 6.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.141 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -81.52 -39.74 24.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -0.32 12.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.68 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.69 -43.99 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.02 0.438 . . . . 0.0 110.418 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 16.6 m80 -83.4 -38.8 21.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.381 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.512 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 20.0 m . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.336 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.748 0.308 . . . . 0.0 110.479 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.544 ' O ' ' C ' ' A' ' 28' ' ' CYS . 38.5 m-85 -104.46 -28.22 11.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.657 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.593 ' NH1' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -97.16 5.86 49.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.593 HD23 ' NH1' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -157.59 27.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.074 179.722 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -160.43 -61.12 0.06 Allowed 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.236 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 2.2 m-85 -94.8 -67.18 0.87 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.245 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.544 ' C ' ' O ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -87.94 47.47 1.51 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.477 0.656 . . . . 0.0 110.364 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.769 HH12 ' CB ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -81.1 31.53 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.189 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 31' ' ' THR . 8.4 pttm -151.46 -44.75 0.11 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.499 0.666 . . . . 0.0 109.753 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.529 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -71.39 -45.77 61.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.332 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.5 m -64.61 -6.61 8.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.267 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.99 24.15 62.36 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.583 ' OG1' ' O ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -78.65 -36.06 44.46 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.52 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.769 ' CB ' HH12 ' A' ' 29' ' ' ARG . 12.9 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.691 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.566 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 13.0 p-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.279 0.561 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.7 p -119.47 20.17 12.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.129 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.716 HD12 ' HB3' ' A' ' 27' ' ' PHE . 6.4 tt -90.83 133.73 31.76 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.563 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.876 ' O ' ' N ' ' A' ' 10' ' ' SER . 15.9 Cg_endo -65.74 66.16 0.4 Allowed 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.85 1.7 . . . . 0.0 110.754 178.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.646 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER 12.02 -59.23 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 O-C-N 124.673 1.233 . . . . 0.0 112.61 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.876 ' N ' ' O ' ' A' ' 8' ' ' PRO . 5.2 m -54.67 5.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.298 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.646 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -103.32 -26.59 12.88 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.485 -179.516 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.7 t -86.48 103.24 14.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 111.228 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.432 ' C ' ' N ' ' A' ' 15' ' ' PHE . 3.3 p -115.41 155.68 26.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.432 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.72 -13.18 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.189 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.625 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -87.98 -42.84 12.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.551 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.531 ' OE1' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -67.1 -44.54 79.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.573 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.471 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -62.89 -2.71 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.673 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 16' ' ' GLN . 60.4 mttt -114.04 -36.66 4.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.096 0.474 . . . . 0.0 110.02 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.6 m80 -91.37 -10.57 40.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.48 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.662 ' OG ' ' NZ ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.537 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.662 ' NZ ' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.238 0 CA-C-O 121.135 0.493 . . . . 0.0 110.216 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -92.91 -39.18 11.3 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -68.13 -2.35 7.77 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.204 -179.631 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -166.86 39.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.949 -0.7 . . . . 0.0 112.01 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -160.78 -54.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.196 179.247 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.716 ' HB3' HD12 ' A' ' 7' ' ' ILE . 76.4 m-85 -101.06 -27.94 12.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.494 ' C ' ' H ' ' A' ' 30' ' ' LYS . 28.2 m -110.57 61.62 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.467 ' HA ' HG23 ' A' ' 34' ' ' THR . 0.6 OUTLIER -72.61 25.74 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.498 ' HD3' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -161.75 -37.05 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.881 0.372 . . . . 0.0 111.032 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.498 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -63.3 -44.21 95.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.917 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.86 18.14 15.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.202 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 42.64 35.91 2.21 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.558 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -85.17 4.51 34.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.721 0.296 . . . . 0.0 110.671 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.458 179.838 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.498 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 17.3 p-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.713 0.292 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -134.31 -0.89 2.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.724 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.8 pt -147.09 148.08 31.09 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.338 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -42.32 135.15 4.41 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.637 2.225 . . . . 0.0 112.009 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' C ' ' H ' ' A' ' 11' ' ' ARG . 13.4 mtpp -56.16 -19.5 13.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.777 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 p -69.07 10.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.757 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.565 ' O ' HG23 ' A' ' 13' ' ' THR . 0.0 OUTLIER -105.66 -29.95 9.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.774 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 t -69.22 98.59 1.05 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.813 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.634 ' C ' ' H ' ' A' ' 15' ' ' PHE . 7.3 p -113.67 145.01 41.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.205 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.82 -4.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.049 0.452 . . . . 0.0 110.022 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.634 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -102.58 -27.75 12.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.392 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.538 ' O ' ' OG ' ' A' ' 20' ' ' SER . 15.9 mm100 -84.17 -39.94 18.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.558 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.602 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -65.86 -0.05 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.987 0.422 . . . . 0.0 110.124 179.713 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -119.73 -40.05 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.378 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.591 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.4 m80 -87.1 -34.66 19.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.852 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.596 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 42.3 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.474 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.499 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.833 0.349 . . . . 0.0 110.587 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.596 ' CD1' ' OG ' ' A' ' 20' ' ' SER . 9.0 m-85 -110.2 -49.33 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.799 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.602 ' NH1' ' O ' ' A' ' 17' ' ' CYS . 19.3 mtm-85 -67.14 -5.74 14.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.536 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 pp -162.76 42.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.528 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -161.17 -58.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.934 179.35 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 1.9 m-85 -100.27 -43.33 6.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.071 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.9 m -99.37 66.91 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 110.033 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.538 ' HA ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -80.13 15.65 1.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.049 -179.417 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HD2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -161.28 -34.65 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.871 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.52 ' H ' ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -65.36 -44.8 86.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.98 0.87 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.431 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.09 27.66 71.64 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.602 ' O ' ' O ' ' A' ' 35' ' ' CYS . 9.2 t -87.71 -44.81 10.89 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.446 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.602 ' O ' ' O ' ' A' ' 34' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 . . . . . 0 C--O 1.23 0.075 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.6 p -121.16 18.59 11.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.699 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.28 148.43 59.57 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.638 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -67.13 135.12 36.21 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.9 2.4 . . . . 0.0 112.197 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -15.02 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.707 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -53.51 -30.43 41.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.562 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.53 -18.72 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.416 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.78 90.05 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.475 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.421 ' C ' ' H ' ' A' ' 15' ' ' PHE . 2.4 p -107.67 166.2 10.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.673 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.43 -6.53 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.88 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.421 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -98.59 -49.5 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.044 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -62.61 -27.9 69.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.54 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.62 16.29 15.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.821 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -130.19 -34.17 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.315 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.416 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 7.6 m80 -93.58 -27.04 16.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.364 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.546 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.806 0.336 . . . . 0.0 110.455 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' CYS . 9.0 m-85 -97.52 -32.92 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 1.02 ' O ' HD23 ' A' ' 25' ' ' LEU . 33.3 mtm180 -78.16 -12.8 60.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.487 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.02 HD23 ' O ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -148.91 37.99 0.81 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.833 -179.18 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -160.97 -51.94 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.7 179.598 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -101.44 -34.47 9.56 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.612 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.5 OUTLIER -111.18 67.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.015 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.587 HH21 ' C ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -85.26 43.21 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.115 179.25 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 31' ' ' THR . 6.8 pttm -170.32 -47.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.566 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.612 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -64.83 -55.26 20.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.203 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 9.51 0.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.86 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.545 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 50.44 30.22 18.71 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 109.766 -1.333 . . . . 0.0 109.766 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.575 HG21 ' O ' ' A' ' 24' ' ' ARG . 8.8 t -86.99 -28.2 22.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.73 0.3 . . . . 0.0 110.789 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.491 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.518 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 1.5 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.187 0.518 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 6' ' ' THR . 4.4 t -148.48 20.12 1.06 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.469 -0.787 . . . . 0.0 108.907 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.618 ' O ' ' N ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -109.9 125.47 31.08 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.797 -178.766 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.694 ' O ' ' N ' ' A' ' 10' ' ' SER . 73.6 Cg_exo -36.7 84.25 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.167 1.912 . . . . 0.0 111.821 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.62 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -18.91 -43.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.625 -179.53 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.694 ' N ' ' O ' ' A' ' 8' ' ' PRO . 40.7 t -66.94 27.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.867 0.365 . . . . 0.0 110.787 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.62 ' H ' ' C ' ' A' ' 9' ' ' LYS . 10.3 mmt180 -128.19 -24.97 3.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.538 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.513 ' HB3' HG21 ' A' ' 31' ' ' THR . 5.5 t -72.1 87.2 1.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.901 0.382 . . . . 0.0 110.342 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.463 ' C ' ' H ' ' A' ' 15' ' ' PHE . 18.4 p -100.72 165.74 11.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.736 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.04 -1.03 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.113 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -101.55 -47.01 4.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.175 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.491 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -69.18 -33.6 73.62 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.397 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 20.8 t -83.21 12.61 5.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.867 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.11 -41.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.081 0.467 . . . . 0.0 110.484 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.442 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 3.2 m80 -85.94 -23.14 27.07 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.941 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.507 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 22.3 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.271 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.4 OUTLIER . . . . . 0 CA--C 1.527 0.071 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.507 ' CD1' ' HB2' ' A' ' 20' ' ' SER . 14.6 m-85 -76.52 -56.12 4.91 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.229 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.786 ' CD ' ' H ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -59.2 -8.28 1.54 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.341 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.665 ' C ' HH11 ' A' ' 29' ' ' ARG . 1.4 pp -151.13 32.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.54 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -161.51 -57.08 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.546 -0.461 . . . . 0.0 111.337 179.079 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 3.2 m-30 -97.21 -15.68 20.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.06 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.459 ' CB ' ' HG1' ' A' ' 31' ' ' THR . 89.7 m -130.49 58.23 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.248 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.665 HH11 ' C ' ' A' ' 25' ' ' LEU . 5.9 mmm180 -77.54 33.87 0.17 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.516 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -178.66 -46.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.116 0.484 . . . . 0.0 110.68 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.537 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -43.9 -66.93 0.32 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.414 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 15.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.537 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 50.43 37.83 33.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -83.07 -34.07 26.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.693 0.283 . . . . 0.0 110.937 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.716 -179.834 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.723 0.297 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.0 p -129.89 -3.91 4.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.883 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 pp -133.87 150.94 75.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.552 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -40.57 117.86 0.54 Allowed 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.747 2.298 . . . . 0.0 112.234 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -53.21 -19.53 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.707 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -15.68 63.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -89.63 -6.51 56.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.2 t -101.48 83.24 2.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.598 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.415 ' OG1' ' CD2' ' A' ' 15' ' ' PHE . 2.0 p -88.46 161.9 16.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.727 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 -9.64 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.111 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.651 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -94.17 -39.71 10.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.073 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.475 ' NE2' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -67.99 -29.97 69.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.237 179.559 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.424 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -71.85 4.31 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.64 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.04 -36.59 1.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.91 0.386 . . . . 0.0 110.184 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.476 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 5.8 m80 -86.61 -14.45 42.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.293 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.41 ' OG ' ' NZ ' ' A' ' 22' ' ' LYS . 5.7 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.401 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.46 0.038 0 CA-C-O 120.814 0.34 . . . . 0.0 110.631 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.44 ' O ' ' CB ' ' A' ' 28' ' ' CYS . 9.6 m-85 -104.36 -35.6 7.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.64 ' O ' HG21 ' A' ' 34' ' ' THR . 11.9 mtm180 -83.17 -5.61 59.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.281 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.767 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.2 pp -153.15 37.37 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.311 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -160.43 -55.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.957 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 3.6 m-30 -100.0 -40.16 7.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.44 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 1.8 m -104.66 68.56 0.86 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.01 0.434 . . . . 0.0 110.004 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.45 ' HA ' ' CG2' ' A' ' 34' ' ' THR . 3.3 mmm180 -80.31 -0.82 38.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.034 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HZ3' ' HB2' ' A' ' 30' ' ' LYS . 1.8 mtmm -138.48 -43.16 0.49 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.563 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -54.53 -57.42 11.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -179.598 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.474 ' N ' HG22 ' A' ' 31' ' ' THR . 0.1 OUTLIER -71.31 15.79 0.11 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.83 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 42.47 42.48 4.54 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.64 HG21 ' O ' ' A' ' 24' ' ' ARG . 11.1 t -92.03 -8.84 44.83 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.969 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.448 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.492 ' OD2' ' NZ ' ' A' ' 30' ' ' LYS . 2.3 p30 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.081 0.467 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.4 p -142.8 28.36 1.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.357 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.552 ' O ' ' N ' ' A' ' 9' ' ' LYS . 1.1 tt -131.79 129.45 21.97 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.81 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.712 ' O ' ' N ' ' A' ' 10' ' ' SER . 5.5 Cg_exo -49.56 85.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 121.475 1.45 . . . . 0.0 111.261 179.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.636 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -11.8 -50.29 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.794 -179.343 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.712 ' N ' ' O ' ' A' ' 8' ' ' PRO . 8.0 m -49.47 0.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.506 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.636 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -102.21 -18.04 15.68 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.017 -179.614 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.7 m -80.57 95.54 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 0.0 110.495 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.72 159.02 15.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.635 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.98 -13.78 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.058 0.456 . . . . 0.0 109.775 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.703 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -92.04 -40.86 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.489 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.533 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -68.6 -31.98 71.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.309 0.576 . . . . 0.0 109.705 179.752 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.721 ' C ' HH11 ' A' ' 24' ' ' ARG . 3.4 m -71.22 25.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.559 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.829 ' N ' ' NH1' ' A' ' 24' ' ' ARG . 18.2 tttt -164.08 -18.53 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.656 0.614 . . . . 0.0 112.656 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.703 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.4 m80 -107.45 -12.87 15.22 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.728 ' C ' ' NH2' ' A' ' 24' ' ' ARG . 69.8 m . . . . . 0 N--CA 1.466 0.374 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.1 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.629 ' N ' ' O ' ' A' ' 20' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.205 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.533 ' CE2' ' HG2' ' A' ' 16' ' ' GLN . 8.1 m-85 -120.01 -48.95 2.32 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.465 178.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.907 ' O ' HG21 ' A' ' 34' ' ' THR . 3.9 mtm-85 -63.36 -25.32 68.24 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.05 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.43 51.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.948 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.46 -60.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.1 0.476 . . . . 0.0 109.934 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.508 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 8.2 m-85 -100.64 -54.99 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.78 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.506 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 3.2 m -92.24 68.87 5.12 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.268 0.556 . . . . 0.0 110.185 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.671 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -67.46 -4.7 12.08 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.364 -179.365 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HE3' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -135.96 -46.44 0.65 Allowed 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.277 -179.382 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.654 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -50.32 -61.38 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.427 -178.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 97.5 m -53.19 -2.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.654 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 68.14 34.55 81.31 Favored Glycine 0 C--N 1.331 0.289 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.907 HG21 ' O ' ' A' ' 24' ' ' ARG . 8.1 t -91.14 -35.57 14.49 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.411 -0.515 . . . . 0.0 111.819 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.671 ' SG ' ' O ' ' A' ' 29' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.227 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.149 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.472 ' OD1' ' C ' ' A' ' 5' ' ' ASP . 35.1 p30 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.339 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.4 p -131.65 11.91 4.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.309 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.964 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -131.2 150.4 76.4 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.378 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.69 ' O ' ' N ' ' A' ' 10' ' ' SER . 6.8 Cg_endo -54.6 105.45 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.747 2.298 . . . . 0.0 111.669 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.61 ' C ' ' H ' ' A' ' 11' ' ' ARG . 14.8 mtpp -33.35 -25.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.641 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.69 ' N ' ' O ' ' A' ' 8' ' ' PRO . 96.8 p -66.24 18.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.486 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.61 ' H ' ' C ' ' A' ' 9' ' ' LYS . 2.8 mmm-85 -118.7 -11.3 9.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.246 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.2 m -82.83 101.38 10.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.381 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.3 p -108.92 159.76 16.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.17 -7.62 0.87 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.073 0.463 . . . . 0.0 110.249 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.492 ' CE2' ' NE2' ' A' ' 16' ' ' GLN . 1.1 t80 -94.03 -32.94 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.331 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.56 ' OE1' ' CZ ' ' A' ' 23' ' ' TYR . 15.9 mm-40 -76.55 -41.01 48.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.8 t -73.7 0.85 11.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.374 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -120.01 -35.98 3.37 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.668 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.469 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 6.1 m80 -105.23 -43.13 5.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.426 ' OG ' ' NE2' ' A' ' 16' ' ' GLN . 24.6 m . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.345 0.593 . . . . 0.0 110.208 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.59 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.5 pttm . . . . . 0 CA--C 1.521 -0.151 0 CA-C-O 121.008 0.432 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.653 ' O ' ' CB ' ' A' ' 28' ' ' CYS . 6.8 m-85 -82.78 -43.72 16.4 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.321 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HG2' ' SG ' ' A' ' 32' ' ' CYS . 22.3 mtm-85 -73.73 10.41 1.13 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.956 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -170.17 31.86 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 120.074 -0.65 . . . . 0.0 112.41 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -159.92 -62.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.305 179.094 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.612 ' HB3' HD12 ' A' ' 7' ' ' ILE . 25.3 m-85 -100.04 -14.04 18.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.328 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.653 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -138.19 38.81 2.31 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.478 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.646 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -68.64 36.08 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.612 -178.722 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.585 ' CG ' ' N ' ' A' ' 31' ' ' THR . 2.5 pttp -166.69 -49.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.214 0.531 . . . . 0.0 110.555 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.612 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -51.73 -52.27 49.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.898 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.459 ' SG ' ' HG2' ' A' ' 24' ' ' ARG . 90.8 m -61.32 3.35 0.11 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.762 178.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.612 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 61.29 33.02 82.91 Favored Glycine 0 N--CA 1.462 0.397 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 -179.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.552 HG21 ' HA ' ' A' ' 29' ' ' ARG . 1.2 t -76.7 -48.97 17.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.667 0.27 . . . . 0.0 110.894 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.43 ' N ' HG23 ' A' ' 34' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.223 -0.322 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.789 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--O 1.231 0.125 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -153.96 15.08 0.48 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -130.06 131.05 23.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.538 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -42.75 140.72 2.78 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.417 2.078 . . . . 0.0 112.031 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 1.5 mppt? -62.13 -11.58 15.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.958 0.409 . . . . 0.0 110.205 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.42 -27.38 68.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.644 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -85.16 -19.48 31.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.642 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.12 92.99 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.25 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.441 ' C ' ' H ' ' A' ' 15' ' ' PHE . 7.3 p -110.98 169.25 8.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.74 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.63 -3.28 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.861 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.441 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -97.49 -48.15 5.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.861 179.616 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.561 ' OE1' ' CZ ' ' A' ' 23' ' ' TYR . 3.6 mm-40 -73.37 -34.94 65.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.123 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.666 ' C ' HH11 ' A' ' 24' ' ' ARG . 0.5 OUTLIER -86.52 19.05 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.44 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.748 ' N ' ' NH1' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -135.19 -36.1 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.399 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.697 ' C ' HH22 ' A' ' 24' ' ' ARG . 0.4 OUTLIER -97.7 -27.81 14.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.622 ' N ' HH12 ' A' ' 24' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.463 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.615 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.577 0 CA-C-O 121.254 0.55 . . . . 0.0 110.239 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.561 ' CZ ' ' OE1' ' A' ' 16' ' ' GLN . 5.2 m-85 -112.17 -59.43 2.0 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.864 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.748 ' NH1' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.04 8.72 0.68 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.802 -179.084 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.999 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -147.21 15.42 1.16 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.791 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 5.2 m -152.9 -65.64 0.16 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.432 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.481 ' CZ ' ' HD2' ' A' ' 22' ' ' LYS . 14.3 m-85 -88.61 -38.13 15.08 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.086 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.675 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER -89.69 59.54 4.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.392 0.615 . . . . 0.0 110.293 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -82.73 15.43 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.72 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.502 ' N ' ' CD ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -146.51 -38.07 0.23 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.03 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.675 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -64.97 -67.49 0.43 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.553 -179.745 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' SG ' ' HB3' ' A' ' 24' ' ' ARG . 1.3 m -63.28 13.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.438 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.64 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 46.97 38.37 10.38 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 28' ' ' CYS . 14.1 t -93.97 2.46 56.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.568 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 44.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.447 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.4 OUTLIER -142.23 8.02 1.8 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.414 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.02 152.1 71.34 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.328 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.522 ' C ' ' H ' ' A' ' 10' ' ' SER . 34.0 Cg_endo -67.34 141.66 57.29 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.974 2.449 . . . . 0.0 111.952 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -63.25 5.03 0.17 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.707 -179.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -72.91 -25.27 61.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.869 179.455 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -92.33 -13.01 30.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.318 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 t -80.69 96.48 6.91 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.801 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.61 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.3 p -105.09 159.93 15.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.625 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.27 11.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.961 0.41 . . . . 0.0 110.592 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.64 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -122.96 -27.76 4.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.351 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.483 ' NE2' ' OG ' ' A' ' 20' ' ' SER . 2.5 mm-40 -71.28 -40.93 70.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.971 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.458 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -82.39 8.85 10.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.266 179.87 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.484 ' HB3' ' ND1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -114.93 -28.07 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.417 179.55 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.611 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 0.3 OUTLIER -108.43 -30.25 8.39 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.387 -179.793 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.483 ' OG ' ' NE2' ' A' ' 16' ' ' GLN . 1.3 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.642 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 26' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.124 0 CA-C-O 120.947 0.403 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.495 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 3.7 m-85 -102.38 -33.28 9.62 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.465 ' HG2' ' SG ' ' A' ' 32' ' ' CYS . 5.6 mtm180 -82.87 10.53 7.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.395 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -176.12 43.46 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.09 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -161.24 -66.01 0.06 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.32 0.581 . . . . 0.0 110.467 179.105 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -100.91 -62.21 1.27 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.356 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.495 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 65.8 m -82.13 47.35 1.11 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.405 178.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.516 ' HA ' ' CG2' ' A' ' 34' ' ' THR . 0.8 OUTLIER -78.18 11.5 2.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.953 -179.084 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.486 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -131.85 -38.18 1.14 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.078 0.466 . . . . 0.0 109.835 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.489 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -63.32 -46.36 87.01 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.504 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.465 ' SG ' ' HG2' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -74.95 10.87 1.26 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.378 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 44.73 42.0 7.4 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.516 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 5.7 t -94.26 -31.07 14.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.977 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.502 ' CB ' HH21 ' A' ' 29' ' ' ARG . 13.4 t . . . . . 0 C--N 1.331 -0.238 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.484 ' CB ' ' HA ' ' A' ' 27' ' ' PHE . 2.8 t70 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 121.591 0.71 . . . . 0.0 112.572 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.442 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 47.4 p -87.61 24.56 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.772 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 7' ' ' ILE . 9.0 tt -103.35 123.84 40.25 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.188 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 10' ' ' SER . 68.1 Cg_endo -79.11 138.03 14.05 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.423 2.082 . . . . 0.0 110.949 178.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.22 -17.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.167 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 8' ' ' PRO . 2.9 t -82.06 22.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.192 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -133.42 -11.61 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.33 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.86 99.84 10.68 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.537 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.545 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.4 p -114.8 163.62 15.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.3 0.94 0.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.508 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.545 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -109.79 -37.11 5.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.066 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 1.4 tp60 -74.61 -46.82 35.96 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.81 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 8.63 1.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.366 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -122.18 -37.25 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.652 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.534 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 3.1 m80 -88.02 -60.3 2.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.299 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.676 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 92.8 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.94 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.645 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.676 ' CD1' ' OG ' ' A' ' 20' ' ' SER . 23.2 m-85 -70.98 -39.08 72.69 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.92 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -69.81 -14.04 62.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.552 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.58 44.92 0.46 Allowed 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.295 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.698 ' OG ' ' CD2' ' A' ' 27' ' ' PHE . 3.1 p -160.28 -64.77 0.07 Allowed 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.298 0.571 . . . . 0.0 110.453 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.698 ' CD2' ' OG ' ' A' ' 26' ' ' SER . 96.3 m-85 -90.16 -53.98 4.23 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.706 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.495 ' SG ' HD13 ' A' ' 7' ' ' ILE . 73.0 m -90.26 65.61 6.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.244 0.545 . . . . 0.0 110.232 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 mmm-85 -77.75 15.56 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.178 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HD2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -153.24 -36.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.999 -179.731 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.548 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -60.69 -60.61 3.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.153 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 5.71 0.22 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.948 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.548 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 59.11 27.29 62.34 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -74.06 -21.88 59.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.825 0.345 . . . . 0.0 110.41 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.468 179.58 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 1.6 p30 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 121.081 0.467 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.625 HG23 HG22 ' A' ' 7' ' ' ILE . 5.8 t -142.03 10.79 1.97 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.786 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.625 HG22 HG23 ' A' ' 6' ' ' THR . 0.1 OUTLIER -140.73 159.6 61.96 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.461 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.592 ' O ' ' N ' ' A' ' 10' ' ' SER . 12.0 Cg_endo -58.75 100.26 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.743 2.295 . . . . 0.0 112.182 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.413 ' CB ' ' HZ3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -45.23 -9.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.962 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.592 ' N ' ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -73.52 0.75 11.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.844 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.85 -0.44 19.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' SG ' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -75.0 83.14 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.186 179.576 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.585 ' C ' ' H ' ' A' ' 15' ' ' PHE . 16.0 p -84.77 155.22 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.585 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.16 4.95 0.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.064 0.459 . . . . 0.0 109.887 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.604 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -113.44 -29.55 7.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.641 -179.649 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.476 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 22.8 mm-40 -75.25 -38.58 60.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.372 . . . . 0.0 110.459 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.8 t -81.36 20.73 0.83 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.643 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -138.52 -36.16 0.58 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.995 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.604 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 5.9 m80 -96.97 -29.39 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.767 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.501 ' HG3' ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 121.068 0.461 . . . . 0.0 110.36 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.476 ' CD2' ' HB3' ' A' ' 16' ' ' GLN . 1.1 m-85 -121.95 -43.04 2.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.427 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 34' ' ' THR . 23.1 mtm180 -70.41 -9.81 57.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.972 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HA ' ' HE ' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -161.3 45.14 0.17 Allowed 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.231 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.22 -58.84 0.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.535 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 3.6 m-85 -100.12 -59.75 1.65 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.19 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.654 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 1.7 m -91.04 62.05 4.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HE ' ' HA ' ' A' ' 25' ' ' LEU . 2.1 mmp_? -66.97 6.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.548 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -153.25 -41.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.947 -179.409 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.654 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -46.49 -50.97 16.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.392 -179.779 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 60.8 m -79.58 19.23 0.65 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.257 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 52.29 36.83 46.42 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.567 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -78.22 -47.85 17.09 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.922 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.529 ' C ' ' O ' ' A' ' 34' ' ' THR . 3.2 t . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.612 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.199 0.523 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.478 ' C ' ' CG2' ' A' ' 7' ' ' ILE . 41.3 p -136.32 6.34 3.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.556 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.538 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -153.59 157.09 32.73 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.434 -178.426 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.63 ' C ' ' H ' ' A' ' 10' ' ' SER . 42.4 Cg_endo -74.39 155.06 46.01 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.403 2.069 . . . . 0.0 111.137 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -0.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.744 0.307 . . . . 0.0 111.105 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.63 ' H ' ' C ' ' A' ' 8' ' ' PRO . 13.6 t -80.92 -5.36 57.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.43 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.48 -2.49 16.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.34 96.81 7.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.51 ' C ' ' H ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -101.98 159.47 15.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.391 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.41 1.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.358 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.51 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -106.89 -30.81 8.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.365 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.523 ' OE1' ' CZ ' ' A' ' 23' ' ' TYR . 4.5 mm-40 -83.33 -37.74 23.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.438 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 44.6 t -76.63 21.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.543 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 16' ' ' GLN . 5.8 tmtm? -139.1 -35.57 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.639 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.497 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 3.9 m80 -98.8 -41.17 7.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.584 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.477 ' OG ' ' NE2' ' A' ' 16' ' ' GLN . 75.7 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.518 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 120.895 0.379 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.523 ' CZ ' ' OE1' ' A' ' 16' ' ' GLN . 3.5 m-85 -127.78 -47.52 1.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.451 ' HG3' ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -73.24 9.46 1.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.41 179.796 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.455 HD12 ' C ' ' A' ' 25' ' ' LEU . 2.7 pp -162.41 29.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -160.53 -62.91 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.729 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -81.53 -46.13 14.92 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.522 ' C ' ' H ' ' A' ' 30' ' ' LYS . 2.1 m -112.55 53.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.316 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.68 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -72.3 34.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.386 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.555 ' HB3' HH21 ' A' ' 29' ' ' ARG . 2.4 pptp? -175.19 -47.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.314 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.457 ' N ' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -50.2 -30.61 11.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.281 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.9 m -102.43 19.28 19.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.221 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.83 38.19 59.13 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -91.86 -51.86 5.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.65 0.262 . . . . 0.0 110.662 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.591 ' O ' ' O ' ' A' ' 29' ' ' ARG . 22.6 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.648 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.461 0.116 0 CA-C-O 120.771 0.32 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.81 7.76 2.09 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.445 ' CG1' ' HB3' ' A' ' 27' ' ' PHE . 1.8 pp -137.6 150.24 67.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.397 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -52.53 143.59 44.88 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.658 2.239 . . . . 0.0 111.952 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.45 ' C ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -67.43 -26.02 66.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.484 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.7 p -48.99 -42.56 38.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.051 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.628 ' CG ' HH11 ' A' ' 11' ' ' ARG . 0.0 OUTLIER -76.72 3.47 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.558 -179.797 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.488 ' SG ' HG21 ' A' ' 31' ' ' THR . 35.7 t -101.28 94.54 5.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.854 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.601 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.8 p -107.65 149.45 28.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.329 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.31 -3.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.049 0.452 . . . . 0.0 110.206 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.624 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -96.11 -39.78 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.036 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.576 ' OE1' ' CZ ' ' A' ' 15' ' ' PHE . 13.7 mm100 -72.08 -33.3 67.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.307 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.675 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 1.9 t -74.18 1.79 10.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.518 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -121.0 -38.26 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.568 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.8 m80 -85.0 -12.36 53.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.809 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.568 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 14.6 m . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.707 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.525 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.154 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.653 ' O ' ' N ' ' A' ' 28' ' ' CYS . 10.6 m-85 -124.1 -47.87 1.88 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.997 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.882 ' O ' HG21 ' A' ' 34' ' ' THR . 71.4 mtm-85 -67.38 -22.62 65.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.627 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.418 HD23 ' HB2' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -136.6 38.66 2.65 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.777 -178.6 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -160.34 -69.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.176 0.512 . . . . 0.0 110.569 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.525 ' CD2' ' O ' ' A' ' 22' ' ' LYS . 2.3 m-85 -93.16 -54.38 3.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.347 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.653 ' N ' ' O ' ' A' ' 23' ' ' TYR . 77.0 m -95.4 50.76 1.26 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.877 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.797 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -79.84 18.08 0.85 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.626 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 31' ' ' THR . 14.9 pttm -149.67 -47.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.105 0.479 . . . . 0.0 111.128 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.557 ' C ' ' H ' ' A' ' 33' ' ' GLY . 1.1 m -47.12 -55.88 7.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.337 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.72 18.43 0.08 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.008 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 48.33 40.33 22.52 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.882 HG21 ' O ' ' A' ' 24' ' ' ARG . 8.5 t -87.94 -40.04 14.25 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.318 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 1.1 t . . . . . 0 C--N 1.331 -0.228 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.614 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -152.76 -160.73 1.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.405 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.4 -153.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.493 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.5 m -86.58 109.21 18.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.311 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -157.67 141.56 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.459 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.566 ' OD1' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -85.56 173.4 10.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.072 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.2 p -116.53 -11.57 11.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.486 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.9 146.79 36.86 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.435 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.546 ' O ' ' N ' ' A' ' 10' ' ' SER . 51.6 Cg_exo -44.48 106.55 0.08 OUTLIER 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.544 2.163 . . . . 0.0 111.956 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -37.84 -26.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.427 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 8' ' ' PRO . 10.5 t -63.21 2.16 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.118 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 13' ' ' THR . 11.7 mmt180 -100.35 -26.72 13.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.48 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.0 t -73.32 97.38 2.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.376 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 11' ' ' ARG . 2.3 p -103.93 160.35 14.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.769 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.94 -9.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.071 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.42 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -91.78 -38.91 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.018 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.496 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -71.5 -33.28 69.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.165 179.611 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.508 ' SG ' ' CG ' ' A' ' 24' ' ' ARG . 16.5 t -79.57 7.52 8.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.699 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -128.84 -34.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.516 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.496 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 2.2 m80 -98.43 -37.3 9.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.652 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.734 ' HB2' ' HZ2' ' A' ' 22' ' ' LYS . 5.9 p -102.87 113.1 26.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.364 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.515 ' C ' ' N ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.734 ' HZ2' ' HB2' ' A' ' 20' ' ' SER . 0.1 OUTLIER -47.89 -18.32 0.16 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.994 0.426 . . . . 0.0 110.188 179.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.645 ' O ' ' CB ' ' A' ' 28' ' ' CYS . 3.8 m-85 -78.99 -41.02 30.04 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.295 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.508 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 2.5 mtp180 -80.87 7.13 11.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.417 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.94 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -161.72 29.17 0.13 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.115 -0.634 . . . . 0.0 111.944 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.599 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -158.35 -57.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.666 179.085 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.566 ' O ' ' OD1' ' A' ' 5' ' ' ASP . 39.5 m-85 -101.44 -44.03 5.74 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.645 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -93.16 66.72 4.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.088 0.471 . . . . 0.0 110.577 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.455 ' HA ' ' CG2' ' A' ' 34' ' ' THR . 0.1 OUTLIER -92.66 44.67 1.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.206 -179.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 2.6 pptp? -177.36 -47.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.014 0.435 . . . . 0.0 110.79 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.635 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -59.22 -51.38 70.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.806 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 93.6 m -71.74 5.7 2.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.661 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 55.91 33.4 60.23 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.455 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 9.6 t -84.69 -11.97 54.8 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.607 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 43.4 t -99.6 50.2 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.368 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.636 0 O-C-N 120.521 -1.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . 0.577 ' OC ' ' CG ' ' A' ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.611 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -31.49 -94.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.572 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 1.8 t 152.65 78.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.918 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.81 ' C ' HD13 ' A' ' 4' ' ' ILE . 37.3 t -78.81 55.77 1.78 Allowed 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 121.294 0.568 . . . . 0.0 109.752 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.81 HD13 ' C ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -134.4 143.06 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.285 -179.487 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -112.48 155.71 23.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.103 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.9 p -121.71 -20.76 6.36 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.264 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 11' ' ' ARG . 10.3 pt -101.65 148.68 35.6 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.915 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.703 ' O ' ' N ' ' A' ' 10' ' ' SER . 37.4 Cg_endo -70.03 127.32 14.22 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.228 1.952 . . . . 0.0 111.61 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.576 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -29.12 -30.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.955 -179.741 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.703 ' N ' ' O ' ' A' ' 8' ' ' PRO . 8.1 t -54.39 -0.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.961 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.576 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -109.24 0.76 19.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.67 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -105.19 108.47 20.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.526 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.547 ' C ' ' H ' ' A' ' 15' ' ' PHE . 11.2 p -111.26 160.63 16.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.444 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.32 -0.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.667 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -104.71 -42.41 5.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.322 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.545 ' O ' ' OG ' ' A' ' 20' ' ' SER . 10.8 mm-40 -74.24 -53.09 10.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.372 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.674 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 5.2 t -64.09 5.31 0.25 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.802 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 16' ' ' GLN . 4.9 ttmm -127.34 -39.25 1.89 Allowed 'General case' 1 C--O 1.567 17.797 1 CA-C-O 149.622 14.058 . . . . 0.0 111.028 -179.906 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.667 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 13.6 m80 -92.86 -23.47 18.79 Favored 'General case' 0 N--CA 1.449 -0.507 1 O-C-N 89.605 -20.684 . . . . 0.0 110.625 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.545 ' OG ' ' O ' ' A' ' 16' ' ' GLN . 63.9 p -107.15 119.28 38.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.934 0.397 . . . . 0.0 110.702 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.733 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -59.27 7.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.516 179.713 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.733 ' H ' ' C ' ' A' ' 21' ' ' NLE . 3.9 m-85 -106.17 -46.37 4.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.087 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.483 ' HE ' ' HA ' ' A' ' 21' ' ' NLE . 7.8 mtm180 -75.58 -4.26 38.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.228 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 pp -145.82 26.07 1.27 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.498 -0.481 . . . . 0.0 112.146 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.494 ' O ' ' O ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER -151.96 -63.24 0.17 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.966 0.412 . . . . 0.0 110.296 179.346 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.05 -52.04 4.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.172 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.698 ' N ' ' O ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -89.28 35.82 0.82 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.722 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -71.57 28.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.99 -179.362 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 28' ' ' CYS . 1.4 pttp -162.31 -47.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.397 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.641 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -53.24 -54.37 37.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.629 -179.267 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.8 m -65.57 20.45 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.32 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.641 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 47.9 31.62 8.03 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -75.06 -54.66 6.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.145 -0.527 . . . . 0.0 110.97 -179.422 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.426 ' H ' HG23 ' A' ' 34' ' ' THR . 0.9 OUTLIER -69.86 3.16 2.78 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.655 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.396 0 O-C-N 119.94 -1.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.414 ' HD2' HH11 ' A' ' 1' ' ' ARG . 2.0 mmm180 -85.67 -92.15 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.694 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.72 18.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.587 ' SG ' ' CZ ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -95.6 77.26 3.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.135 0.493 . . . . 0.0 110.82 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.594 ' O ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -158.14 132.3 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.834 179.367 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.625 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.2 OUTLIER -110.43 149.12 30.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.068 0.461 . . . . 0.0 111.643 -179.114 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 5' ' ' ASP . 46.3 p -159.82 32.58 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.035 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.573 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -122.53 122.87 27.18 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.434 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.652 ' O ' ' N ' ' A' ' 10' ' ' SER . 50.0 Cg_exo -41.99 93.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 121.979 1.786 . . . . 0.0 111.495 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.603 ' C ' ' H ' ' A' ' 11' ' ' ARG . 1.4 mttt -21.97 -41.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.363 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.652 ' N ' ' O ' ' A' ' 8' ' ' PRO . 7.9 t -67.39 27.17 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.789 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.603 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.29 -25.34 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.692 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.0 t -76.58 100.35 5.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.533 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.498 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.7 p -105.52 150.83 24.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.59 -10.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.049 0.452 . . . . 0.0 110.018 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.774 ' CE2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -91.81 -36.65 13.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.382 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.774 ' NE2' ' CE2' ' A' ' 15' ' ' PHE . 1.1 tp-100 -79.07 -34.46 43.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.538 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -78.55 23.65 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.2 tttm -146.83 -35.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.587 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 1.7 m80 -84.87 -41.89 15.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.75 119.22 38.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.637 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.714 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.91 5.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.392 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.714 ' H ' ' C ' ' A' ' 21' ' ' NLE . 4.1 m-85 -104.36 -45.03 4.78 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.203 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.955 ' O ' HG21 ' A' ' 34' ' ' THR . 0.0 OUTLIER -84.05 9.55 12.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.419 179.308 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 24' ' ' ARG . 10.5 mt -140.27 11.2 2.35 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.594 ' O ' ' O ' ' A' ' 4' ' ' ILE . 44.4 m -160.17 -56.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.9 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -89.89 -56.62 3.16 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.469 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.705 ' N ' ' O ' ' A' ' 23' ' ' TYR . 47.3 m -91.81 36.73 0.96 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.587 ' CZ ' ' SG ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -62.52 9.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.413 -179.289 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.558 ' H ' ' C ' ' A' ' 28' ' ' CYS . 12.4 pttm -139.82 -44.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.169 0.509 . . . . 0.0 110.37 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -47.94 -55.89 8.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.771 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 33' ' ' GLY . 4.0 m -76.68 21.79 0.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.473 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 38.57 44.19 1.72 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.955 HG21 ' O ' ' A' ' 24' ' ' ARG . 9.0 t -90.89 -35.73 14.58 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.453 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 29' ' ' ARG . 20.6 t -132.48 125.71 31.3 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.525 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.974 -1.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.615 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 179.81 -68.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.479 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 1.8 p 151.8 57.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.464 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.783 ' O ' HG23 ' A' ' 4' ' ' ILE . 3.7 m -134.83 80.74 1.86 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.954 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.783 HG23 ' O ' ' A' ' 3' ' ' CYS . 1.4 pt -167.6 118.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.391 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -109.74 168.88 9.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.528 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.2 t -145.3 8.42 1.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.825 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.429 ' CG1' ' HB3' ' A' ' 27' ' ' PHE . 1.2 pt -133.85 150.49 74.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.548 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 10' ' ' SER . 46.1 Cg_endo -70.64 140.21 38.85 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.796 2.331 . . . . 0.0 112.104 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.602 ' C ' ' H ' ' A' ' 11' ' ' ARG . 5.1 mtmt -46.37 -16.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.942 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' PRO . 58.4 m -58.22 4.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.737 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.602 ' H ' ' C ' ' A' ' 9' ' ' LYS . 9.4 mtt85 -127.57 2.61 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.5 104.73 16.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.259 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.562 ' C ' ' H ' ' A' ' 15' ' ' PHE . 2.2 p -116.64 163.36 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.739 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.83 10.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.156 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.588 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -118.3 -23.41 7.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.253 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.607 ' OE1' ' CZ ' ' A' ' 23' ' ' TYR . 36.9 mm-40 -86.47 -46.59 10.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.943 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -60.57 0.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.039 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 16' ' ' GLN . 29.0 ttmt -125.14 -38.2 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.634 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.588 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.7 m80 -84.45 -46.15 11.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.357 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.675 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 78.8 p -89.47 117.54 28.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.12 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.632 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.668 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -70.16 37.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.313 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.675 ' CD1' ' OG ' ' A' ' 20' ' ' SER . 11.1 m-85 -127.45 -50.08 1.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.451 ' O ' HG21 ' A' ' 34' ' ' THR . 6.3 mtm-85 -78.48 17.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.893 0.377 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.407 ' H ' ' C ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -173.7 35.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.63 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.585 ' O ' ' O ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -160.58 -67.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.092 0.473 . . . . 0.0 110.134 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.668 ' CD2' ' O ' ' A' ' 22' ' ' LYS . 1.8 m-85 -100.58 -56.61 2.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.36 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.456 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER -88.97 56.21 3.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.205 0.526 . . . . 0.0 110.198 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.713 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -93.44 28.89 2.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.452 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' HG3' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -151.51 -35.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.95 179.627 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.456 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -68.07 -44.92 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.699 179.382 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -2.59 37.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.136 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.73 31.42 78.35 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.451 HG21 ' O ' ' A' ' 24' ' ' ARG . 0.6 OUTLIER -78.67 -12.18 60.01 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.641 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 43.2 t -153.77 11.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.671 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.997 -1.689 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . 0.461 ' C1 ' ' N ' ' A' ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.459 ' NE ' ' O ' ' A' ' 0' ' ' PFX . 1.6 mmp_? -140.21 -150.5 0.32 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.057 0.456 . . . . 0.0 110.962 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.29 29.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.481 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.692 ' C ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -81.59 108.75 15.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.204 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.633 ' CA ' HH11 ' A' ' 29' ' ' ARG . 0.0 OUTLIER -152.64 131.38 2.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.152 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.611 ' OD1' ' O ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -108.47 176.3 5.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.478 0.656 . . . . 0.0 111.428 -179.572 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.1 p -143.48 15.1 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.626 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.635 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -146.75 158.41 45.94 Favored Pre-proline 0 N--CA 1.456 -0.166 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.859 -179.446 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' A' ' 10' ' ' SER . 50.8 Cg_endo -73.39 144.37 36.44 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 122.795 2.33 . . . . 0.0 111.457 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.525 ' HG2' ' HZ3' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -53.36 -10.41 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.55 -179.73 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 8' ' ' PRO . 74.8 p -71.78 8.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.98 -3.78 6.38 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.601 ' SG ' ' O ' ' A' ' 27' ' ' PHE . 11.5 m -106.72 85.94 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.838 0.351 . . . . 0.0 110.448 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.637 ' C ' ' H ' ' A' ' 15' ' ' PHE . 4.5 p -87.94 164.24 15.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.688 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.71 13.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.637 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -127.27 -45.03 1.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.244 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.478 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 6.3 tp60 -58.14 -34.22 70.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.974 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.65 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 7.6 p -96.35 16.76 17.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 -179.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HB3' ' ND1' ' A' ' 19' ' ' HIS . 12.3 tttm -118.0 -26.08 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.357 . . . . 0.0 110.695 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.575 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 0.7 OUTLIER -107.0 -38.98 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.71 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -95.69 130.09 42.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.603 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.461 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 26' ' ' SER . 0.6 OUTLIER -66.33 -2.93 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 110.49 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.702 ' O ' ' N ' ' A' ' 28' ' ' CYS . 13.1 m-85 -103.61 -23.73 13.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.096 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.936 ' O ' HG21 ' A' ' 34' ' ' THR . 7.2 mtm105 -89.71 -20.32 23.74 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.328 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.2 pp -128.86 26.92 5.5 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.147 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.611 ' O ' ' OD1' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -157.47 -54.57 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.583 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.61 ' O ' ' OD2' ' A' ' 5' ' ' ASP . 3.8 m-85 -100.35 -21.5 15.4 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.693 -0.403 . . . . 0.0 112.061 -178.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.702 ' N ' ' O ' ' A' ' 23' ' ' TYR . 1.8 m -130.61 51.06 2.15 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.414 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.692 ' NH1' ' C ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -77.4 39.1 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.836 179.665 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HZ3' ' HG2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -172.77 -44.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.684 -179.372 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.63 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -58.46 -61.22 2.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.637 -179.618 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.65 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -63.83 11.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.948 0.404 . . . . 0.0 110.213 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.63 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 54.41 31.75 51.52 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.936 HG21 ' O ' ' A' ' 24' ' ' ARG . 9.8 t -76.17 -33.34 59.35 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.519 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.649 ' SG ' ' N ' ' A' ' 36' ' ' NH2 . 2.5 t -110.64 167.05 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.445 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . 0.649 ' N ' ' SG ' ' A' ' 35' ' ' CYS . . . . . . . . 0 C--N 1.306 -1.29 0 O-C-N 119.951 -1.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 51.79 -125.08 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.44 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.4 p -138.15 142.23 40.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.682 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.622 ' SG ' ' C ' ' A' ' 35' ' ' CYS . 19.8 m -98.33 110.72 23.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.273 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -157.12 143.17 9.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.464 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.677 ' OD2' ' NZ ' ' A' ' 30' ' ' LYS . 1.9 p-10 -120.93 171.37 8.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.384 0.611 . . . . 0.0 111.625 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.2 p -138.09 20.25 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.12 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.672 HD13 ' SG ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -117.18 128.89 25.71 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.65 -178.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.697 ' O ' ' N ' ' A' ' 10' ' ' SER . 15.6 Cg_endo -62.8 114.69 2.52 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 121.631 1.554 . . . . 0.0 111.303 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' A' ' 11' ' ' ARG . 43.7 pttt -33.96 -23.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.697 ' N ' ' O ' ' A' ' 8' ' ' PRO . 1.2 p -70.33 12.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.693 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' H ' ' C ' ' A' ' 9' ' ' LYS . 7.5 mtm-85 -126.57 -20.61 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.69 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.672 ' SG ' HD13 ' A' ' 7' ' ' ILE . 77.8 m -87.26 78.83 8.71 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.419 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -90.62 158.86 16.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 -179.381 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.07 -8.66 0.69 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.312 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.653 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -94.73 -33.52 12.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.868 179.829 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.61 ' NE2' ' CZ ' ' A' ' 23' ' ' TYR . 8.0 mm100 -86.41 -30.7 21.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.989 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.77 14.48 1.06 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.788 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.56 ' O ' ' NH2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -139.47 -33.06 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.806 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.653 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 1.9 m80 -82.88 -56.78 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.2 m -96.74 108.74 21.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.052 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.679 ' O ' ' N ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.588 ' O ' ' OG ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -40.34 -15.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.395 179.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.679 ' N ' ' O ' ' A' ' 21' ' ' NLE . 3.8 m-85 -81.79 -47.81 12.39 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.871 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -77.08 24.69 0.16 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.299 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.88 32.44 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 119.993 -0.683 . . . . 0.0 112.166 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.588 ' OG ' ' O ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -160.75 -70.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.422 0.63 . . . . 0.0 110.73 179.517 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.57 ' O ' HG22 ' A' ' 7' ' ' ILE . 85.8 m-85 -86.27 -43.57 12.83 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.454 -178.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 m -101.43 64.52 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.12 0.486 . . . . 0.0 109.838 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' A' ' 35' ' ' CYS . 5.3 mtp180 -73.76 36.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.773 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.677 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -176.98 -45.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.282 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.504 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -58.8 -44.33 90.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.593 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -74.1 4.68 5.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.501 179.056 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.4 37.14 65.03 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.529 HG21 ' C ' ' A' ' 24' ' ' ARG . 10.1 t -101.55 -36.95 8.6 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.138 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.622 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 40.2 t 31.16 -98.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.528 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' THR . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.997 -1.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -89.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.627 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.49 91.41 2.66 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.759 ' SG ' ' NH1' ' A' ' 29' ' ' ARG . 1.4 m -78.05 92.41 4.36 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.137 -179.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.855 ' N ' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -170.82 131.08 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.265 -179.49 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' PHE . 11.5 p-10 -83.13 169.94 15.3 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.629 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.505 HG23 HG23 ' A' ' 7' ' ' ILE . 3.2 t -138.39 -2.88 1.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.148 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.505 HG23 HG23 ' A' ' 6' ' ' THR . 1.6 pp -130.03 146.64 62.29 Favored Pre-proline 0 C--N 1.33 -0.252 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.045 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.522 ' C ' ' H ' ' A' ' 10' ' ' SER . 52.0 Cg_exo -42.16 119.75 1.36 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.759 2.306 . . . . 0.0 112.353 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' HB3' ' HZ1' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -61.45 1.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.311 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 8' ' ' PRO . 5.4 t -71.73 -28.07 63.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.427 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.415 ' O ' HG23 ' A' ' 13' ' ' THR . 1.7 mmp_? -77.56 -2.69 36.93 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.252 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.29 102.27 4.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.934 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.647 ' C ' ' H ' ' A' ' 15' ' ' PHE . 2.9 p -124.6 158.43 33.07 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.413 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.91 12.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.014 0.435 . . . . 0.0 110.145 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.647 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -117.33 -25.81 6.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.141 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -81.52 -39.74 24.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -0.32 12.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.68 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.69 -43.99 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.02 0.438 . . . . 0.0 110.418 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 16.6 m80 -83.4 -38.8 21.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.381 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.512 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 20.0 m -113.97 102.08 9.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.336 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.809 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -54.46 6.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.479 179.721 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.809 ' H ' ' C ' ' A' ' 21' ' ' NLE . 38.5 m-85 -104.46 -28.22 11.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.657 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.621 HH21 ' CD ' ' A' ' 21' ' ' NLE . 0.0 OUTLIER -97.16 5.86 49.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.593 HD23 ' NH1' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -157.59 27.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.074 179.722 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -160.43 -61.12 0.06 Allowed 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.236 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 2.2 m-85 -94.8 -67.18 0.87 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.245 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.544 ' C ' ' O ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -87.94 47.47 1.51 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.477 0.656 . . . . 0.0 110.364 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.855 ' NE ' ' N ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -81.1 31.53 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.189 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 31' ' ' THR . 8.4 pttm -151.46 -44.75 0.11 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.499 0.666 . . . . 0.0 109.753 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.529 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -71.39 -45.77 61.99 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.332 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.5 m -64.61 -6.61 8.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.267 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.99 24.15 62.36 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.583 ' OG1' ' O ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -78.65 -36.06 44.46 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.52 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.769 ' CB ' HH12 ' A' ' 29' ' ' ARG . 12.9 t -114.08 119.11 36.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.691 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.433 0 O-C-N 120.169 -1.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.784 ' O ' HD11 ' A' ' 4' ' ' ILE . 12.9 tpt85 -75.04 -35.97 61.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.643 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.35 -174.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.447 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 25.8 m -81.85 98.93 8.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.754 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.784 HD11 ' O ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER -150.8 150.76 13.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.3 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.566 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 13.0 p-10 -138.64 168.71 19.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.279 0.561 . . . . 0.0 111.246 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.7 p -119.47 20.17 12.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.129 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.716 HD12 ' HB3' ' A' ' 27' ' ' PHE . 6.4 tt -90.83 133.73 31.76 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.563 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.876 ' O ' ' N ' ' A' ' 10' ' ' SER . 15.9 Cg_endo -65.74 66.16 0.4 Allowed 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.85 1.7 . . . . 0.0 110.754 178.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.646 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER 12.02 -59.23 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 O-C-N 124.673 1.233 . . . . 0.0 112.61 179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.876 ' N ' ' O ' ' A' ' 8' ' ' PRO . 5.2 m -54.67 5.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.298 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.646 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -103.32 -26.59 12.88 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.771 -0.195 . . . . 0.0 111.485 -179.516 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.7 t -86.48 103.24 14.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 111.228 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.432 ' C ' ' N ' ' A' ' 15' ' ' PHE . 3.3 p -115.41 155.68 26.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.432 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.72 -13.18 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.189 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.625 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -87.98 -42.84 12.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.551 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.531 ' OE1' ' CZ ' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -67.1 -44.54 79.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.573 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.471 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -62.89 -2.71 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.673 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 16' ' ' GLN . 60.4 mttt -114.04 -36.66 4.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.096 0.474 . . . . 0.0 110.02 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.6 m80 -91.37 -10.57 40.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.48 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.662 ' OG ' ' NZ ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -134.64 112.74 11.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.537 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.482 ' CD ' ' N ' ' A' ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.662 ' NZ ' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -66.86 -7.17 19.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.135 0.493 . . . . 0.0 110.216 179.506 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -92.91 -39.18 11.3 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -68.13 -2.35 7.77 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.204 -179.631 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -166.86 39.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.949 -0.7 . . . . 0.0 112.01 -179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -160.78 -54.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.196 179.247 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.716 ' HB3' HD12 ' A' ' 7' ' ' ILE . 76.4 m-85 -101.06 -27.94 12.99 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.494 ' C ' ' H ' ' A' ' 30' ' ' LYS . 28.2 m -110.57 61.62 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.467 ' HA ' HG23 ' A' ' 34' ' ' THR . 0.6 OUTLIER -72.61 25.74 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.882 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.498 ' HD3' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -161.75 -37.05 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.881 0.372 . . . . 0.0 111.032 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.498 ' N ' ' HD3' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -63.3 -44.21 95.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.917 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.86 18.14 15.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.202 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 42.64 35.91 2.21 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.558 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -85.17 4.51 34.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.721 0.296 . . . . 0.0 110.671 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 38.2 t -149.75 -17.62 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.458 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.106 -1.621 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.01 129.07 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.42 -10.63 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.415 . . . . 0.0 110.488 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.9 m -110.63 98.04 7.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.189 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.76 -163.16 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.127 0.489 . . . . 0.0 111.318 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.498 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 17.3 p-10 -161.29 166.97 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.42 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 p -134.31 -0.89 2.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.724 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.8 pt -147.09 148.08 31.09 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.338 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -42.32 135.15 4.41 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.637 2.225 . . . . 0.0 112.009 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' C ' ' H ' ' A' ' 11' ' ' ARG . 13.4 mtpp -56.16 -19.5 13.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.777 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 p -69.07 10.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.757 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.565 ' O ' HG23 ' A' ' 13' ' ' THR . 0.0 OUTLIER -105.66 -29.95 9.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.774 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 t -69.22 98.59 1.05 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.813 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.634 ' C ' ' H ' ' A' ' 15' ' ' PHE . 7.3 p -113.67 145.01 41.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.205 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.82 -4.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.049 0.452 . . . . 0.0 110.022 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.634 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -102.58 -27.75 12.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.392 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.538 ' O ' ' OG ' ' A' ' 20' ' ' SER . 15.9 mm100 -84.17 -39.94 18.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.558 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.602 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -65.86 -0.05 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.987 0.422 . . . . 0.0 110.124 179.713 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -119.73 -40.05 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.378 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.591 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.4 m80 -87.1 -34.66 19.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.852 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.596 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 42.3 p -106.79 126.06 51.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.474 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.71 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.499 ' HB2' ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -65.99 18.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.587 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.71 ' H ' ' C ' ' A' ' 21' ' ' NLE . 9.0 m-85 -110.2 -49.33 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.799 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.602 ' NH1' ' O ' ' A' ' 17' ' ' CYS . 19.3 mtm-85 -67.14 -5.74 14.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.536 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 pp -162.76 42.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.528 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER -161.17 -58.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.934 179.35 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 1.9 m-85 -100.27 -43.33 6.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.071 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.9 m -99.37 66.91 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 110.033 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.538 ' HA ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -80.13 15.65 1.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.049 -179.417 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HD2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -161.28 -34.65 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.871 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.52 ' H ' ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -65.36 -44.8 86.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.98 0.87 16.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.431 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.09 27.66 71.64 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.602 ' O ' ' O ' ' A' ' 35' ' ' CYS . 9.2 t -87.71 -44.81 10.89 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.446 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.602 ' O ' ' O ' ' A' ' 34' ' ' THR . 0.0 OUTLIER 23.86 -147.25 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.169 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.295 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . 0.528 ' CD1' ' OC ' ' A' ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 1' ' ' ARG . 0.0 OUTLIER -70.89 -167.9 0.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.703 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.402 ' H ' ' NH2' ' A' ' 1' ' ' ARG . 0.2 OUTLIER -133.73 23.87 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.237 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.8 m -135.95 105.05 5.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.201 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -157.95 135.78 2.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.841 0.353 . . . . 0.0 110.852 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -110.58 156.74 20.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.119 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.6 p -121.16 18.59 11.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.699 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.28 148.43 59.57 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.638 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -67.13 135.12 36.21 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.9 2.4 . . . . 0.0 112.197 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -15.02 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.707 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -53.51 -30.43 41.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.562 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.53 -18.72 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.416 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.78 90.05 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.475 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.421 ' C ' ' H ' ' A' ' 15' ' ' PHE . 2.4 p -107.67 166.2 10.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.673 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.43 -6.53 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.88 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.421 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -98.59 -49.5 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.044 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -62.61 -27.9 69.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.54 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.62 16.29 15.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.821 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -130.19 -34.17 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.315 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.416 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 7.6 m80 -93.58 -27.04 16.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.364 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.59 134.79 52.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.546 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.542 ' CD ' ' N ' ' A' ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.542 ' N ' ' CD ' ' A' ' 21' ' ' NLE . 0.1 OUTLIER -74.85 -6.49 49.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.806 0.336 . . . . 0.0 110.455 179.622 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' CYS . 9.0 m-85 -97.52 -32.92 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 1.02 ' O ' HD23 ' A' ' 25' ' ' LEU . 33.3 mtm180 -78.16 -12.8 60.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.487 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.02 HD23 ' O ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -148.91 37.99 0.81 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.833 -179.18 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -160.97 -51.94 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.189 -0.604 . . . . 0.0 111.7 179.598 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -101.44 -34.47 9.56 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.612 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.5 OUTLIER -111.18 67.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.015 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.587 HH21 ' C ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -85.26 43.21 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.115 179.25 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 31' ' ' THR . 6.8 pttm -170.32 -47.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.566 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.612 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -64.83 -55.26 20.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.203 -179.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 9.51 0.21 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.86 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.545 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 50.44 30.22 18.71 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 109.766 -1.333 . . . . 0.0 109.766 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.575 HG21 ' O ' ' A' ' 24' ' ' ARG . 8.8 t -86.99 -28.2 22.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.73 0.3 . . . . 0.0 110.789 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -130.39 -41.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.491 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.479 0 O-C-N 120.197 -1.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . 0.414 ' HD2' ' CO ' ' A' ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.776 ' NH2' HH12 ' A' ' 29' ' ' ARG . 0.9 OUTLIER -158.38 -144.25 0.12 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.477 -179.805 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.622 ' H ' ' CD ' ' A' ' 1' ' ' ARG . 1.5 p -158.75 77.05 0.75 Allowed 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.187 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.7 t -78.91 66.52 4.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.831 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.74 137.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.976 -179.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.518 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 1.5 m-20 -102.82 174.72 5.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.187 0.518 . . . . 0.0 110.757 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 6' ' ' THR . 4.4 t -148.48 20.12 1.06 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.469 -0.787 . . . . 0.0 108.907 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.618 ' O ' ' N ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -109.9 125.47 31.08 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.797 -178.766 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.694 ' O ' ' N ' ' A' ' 10' ' ' SER . 73.6 Cg_exo -36.7 84.25 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.167 1.912 . . . . 0.0 111.821 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.62 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -18.91 -43.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.625 -179.53 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.694 ' N ' ' O ' ' A' ' 8' ' ' PRO . 40.7 t -66.94 27.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.867 0.365 . . . . 0.0 110.787 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.62 ' H ' ' C ' ' A' ' 9' ' ' LYS . 10.3 mmt180 -128.19 -24.97 3.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.538 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.513 ' HB3' HG21 ' A' ' 31' ' ' THR . 5.5 t -72.1 87.2 1.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.901 0.382 . . . . 0.0 110.342 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.463 ' C ' ' H ' ' A' ' 15' ' ' PHE . 18.4 p -100.72 165.74 11.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.736 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.04 -1.03 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.113 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -101.55 -47.01 4.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.175 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.491 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -69.18 -33.6 73.62 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.397 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.666 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 20.8 t -83.21 12.61 5.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.867 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.11 -41.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.081 0.467 . . . . 0.0 110.484 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.442 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 3.2 m80 -85.94 -23.14 27.07 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.941 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.507 ' HB2' ' CD1' ' A' ' 23' ' ' TYR . 22.3 m -114.47 132.03 56.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.271 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -57.32 -17.02 10.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.258 179.523 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.507 ' CD1' ' HB2' ' A' ' 20' ' ' SER . 14.6 m-85 -76.52 -56.12 4.91 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.229 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.786 ' CD ' ' H ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -59.2 -8.28 1.54 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.341 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.665 ' C ' HH11 ' A' ' 29' ' ' ARG . 1.4 pp -151.13 32.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.518 -0.873 . . . . 0.0 112.54 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -161.51 -57.08 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.546 -0.461 . . . . 0.0 111.337 179.079 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 3.2 m-30 -97.21 -15.68 20.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.06 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.459 ' CB ' ' HG1' ' A' ' 31' ' ' THR . 89.7 m -130.49 58.23 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.248 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.776 HH12 ' NH2' ' A' ' 1' ' ' ARG . 5.9 mmm180 -77.54 33.87 0.17 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.516 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -178.66 -46.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.116 0.484 . . . . 0.0 110.68 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.537 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -43.9 -66.93 0.32 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.414 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 15.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.537 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 50.43 37.83 33.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.182 -1.167 . . . . 0.0 110.182 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -83.07 -34.07 26.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.693 0.283 . . . . 0.0 110.937 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 6.4 t -135.18 133.67 39.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.716 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.153 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.412 ' HG2' ' H ' ' A' ' 1' ' ' ARG . 22.9 mmm180 -45.66 118.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.672 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 173.12 31.66 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.931 ' O ' HD13 ' A' ' 4' ' ' ILE . 2.6 m -115.34 90.92 3.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.207 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.931 HD13 ' O ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -140.54 155.21 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.454 -179.625 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.0 p-10 -85.24 162.64 19.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.337 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.0 p -129.89 -3.91 4.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.883 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 pp -133.87 150.94 75.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.552 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -40.57 117.86 0.54 Allowed 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 122.747 2.298 . . . . 0.0 112.234 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -53.21 -19.53 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.707 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -15.68 63.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -89.63 -6.51 56.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.566 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.2 t -101.48 83.24 2.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.598 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.415 ' OG1' ' CD2' ' A' ' 15' ' ' PHE . 2.0 p -88.46 161.9 16.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.727 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.29 -9.64 2.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.111 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.651 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -94.17 -39.71 10.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.073 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.475 ' NE2' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -67.99 -29.97 69.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.237 179.559 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.424 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -71.85 4.31 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.64 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.04 -36.59 1.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.91 0.386 . . . . 0.0 110.184 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.476 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 5.8 m80 -86.61 -14.45 42.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.293 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.41 ' OG ' ' NZ ' ' A' ' 22' ' ' LYS . 5.7 t -134.15 120.75 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.401 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.705 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -57.78 3.55 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.631 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.705 ' H ' ' C ' ' A' ' 21' ' ' NLE . 9.6 m-85 -104.36 -35.6 7.89 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.64 ' O ' HG21 ' A' ' 34' ' ' THR . 11.9 mtm180 -83.17 -5.61 59.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.281 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.767 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.2 pp -153.15 37.37 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.311 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -160.43 -55.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.957 179.653 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 27' ' ' PHE . 3.6 m-30 -100.0 -40.16 7.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 -179.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.44 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 1.8 m -104.66 68.56 0.86 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.01 0.434 . . . . 0.0 110.004 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.757 ' NH2' ' SG ' ' A' ' 3' ' ' CYS . 3.3 mmm180 -80.31 -0.82 38.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.034 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HZ3' ' HB2' ' A' ' 30' ' ' LYS . 1.8 mtmm -138.48 -43.16 0.49 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.779 0.323 . . . . 0.0 111.207 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.563 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -54.53 -57.42 11.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -179.598 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.474 ' N ' HG22 ' A' ' 31' ' ' THR . 0.1 OUTLIER -71.31 15.79 0.11 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.83 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 42.47 42.48 4.54 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.64 HG21 ' O ' ' A' ' 24' ' ' ARG . 11.1 t -92.03 -8.84 44.83 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.969 -179.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 0.7 OUTLIER -141.27 140.74 33.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.448 179.513 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.065 -1.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . 0.559 ' O ' ' N ' ' A' ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 1' ' ' ARG . 9.0 ttm180 -58.7 76.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.19 179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.642 ' O ' ' NE ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -125.21 27.97 6.48 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.751 -179.79 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m -96.01 70.17 2.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -140.8 125.9 18.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.935 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.492 ' OD2' ' NZ ' ' A' ' 30' ' ' LYS . 2.3 p30 -108.09 163.56 13.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.183 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.4 p -142.8 28.36 1.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.357 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.552 ' O ' ' N ' ' A' ' 9' ' ' LYS . 1.1 tt -131.79 129.45 21.97 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.81 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.712 ' O ' ' N ' ' A' ' 10' ' ' SER . 5.5 Cg_exo -49.56 85.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 121.475 1.45 . . . . 0.0 111.261 179.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.636 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -11.8 -50.29 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.794 -179.343 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.712 ' N ' ' O ' ' A' ' 8' ' ' PRO . 8.0 m -49.47 0.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.506 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.636 ' H ' ' C ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -102.21 -18.04 15.68 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.017 -179.614 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.7 m -80.57 95.54 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 0.0 110.495 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.72 159.02 15.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.635 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.98 -13.78 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.058 0.456 . . . . 0.0 109.775 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.703 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -92.04 -40.86 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.489 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.533 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -68.6 -31.98 71.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.309 0.576 . . . . 0.0 109.705 179.752 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.721 ' C ' HH11 ' A' ' 24' ' ' ARG . 3.4 m -71.22 25.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.559 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.829 ' N ' ' NH1' ' A' ' 24' ' ' ARG . 18.2 tttt -164.08 -18.53 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.656 0.614 . . . . 0.0 112.656 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.703 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.4 m80 -107.45 -12.87 15.22 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.728 ' C ' ' NH2' ' A' ' 24' ' ' ARG . 69.8 m -122.97 69.59 1.0 Allowed 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.1 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.859 ' C ' HH21 ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.629 ' N ' ' O ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -70.98 32.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.049 -178.584 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.565 ' H ' ' C ' ' A' ' 21' ' ' NLE . 8.1 m-85 -120.01 -48.95 2.32 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.465 178.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.907 ' O ' HG21 ' A' ' 34' ' ' THR . 3.9 mtm-85 -63.36 -25.32 68.24 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.871 -0.331 . . . . 0.0 111.05 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.43 51.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.948 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.46 -60.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.1 0.476 . . . . 0.0 109.934 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.508 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 8.2 m-85 -100.64 -54.99 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.78 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.506 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 3.2 m -92.24 68.87 5.12 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.268 0.556 . . . . 0.0 110.185 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.671 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -67.46 -4.7 12.08 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.364 -179.365 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HE3' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -135.96 -46.44 0.65 Allowed 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.277 -179.382 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.654 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -50.32 -61.38 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.427 -178.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.506 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 97.5 m -53.19 -2.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.654 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 68.14 34.55 81.31 Favored Glycine 0 C--N 1.331 0.289 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.907 HG21 ' O ' ' A' ' 24' ' ' ARG . 8.1 t -91.14 -35.57 14.49 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.411 -0.515 . . . . 0.0 111.819 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.671 ' SG ' ' O ' ' A' ' 29' ' ' ARG . 0.8 OUTLIER -38.79 -41.09 0.69 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.149 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.481 0 O-C-N 120.252 -1.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 41.6 73.39 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.712 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -109.35 -0.3 19.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.196 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.629 ' SG ' ' O ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -108.1 97.78 7.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.334 -179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.481 ' HA ' ' NH1' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -159.95 127.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.906 0.384 . . . . 0.0 110.946 -179.792 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.472 ' OD1' ' C ' ' A' ' 5' ' ' ASP . 35.1 p30 -82.02 160.47 23.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.305 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.4 p -131.65 11.91 4.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.309 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.964 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -131.2 150.4 76.4 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.378 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.69 ' O ' ' N ' ' A' ' 10' ' ' SER . 6.8 Cg_endo -54.6 105.45 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.747 2.298 . . . . 0.0 111.669 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.61 ' C ' ' H ' ' A' ' 11' ' ' ARG . 14.8 mtpp -33.35 -25.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.641 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.69 ' N ' ' O ' ' A' ' 8' ' ' PRO . 96.8 p -66.24 18.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.486 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.61 ' H ' ' C ' ' A' ' 9' ' ' LYS . 2.8 mmm-85 -118.7 -11.3 9.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.246 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.2 m -82.83 101.38 10.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.381 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.3 p -108.92 159.76 16.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.17 -7.62 0.87 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.073 0.463 . . . . 0.0 110.249 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.492 ' CE2' ' NE2' ' A' ' 16' ' ' GLN . 1.1 t80 -94.03 -32.94 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.331 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.56 ' OE1' ' CZ ' ' A' ' 23' ' ' TYR . 15.9 mm-40 -76.55 -41.01 48.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.8 t -73.7 0.85 11.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.374 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -120.01 -35.98 3.37 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.668 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.469 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 6.1 m80 -105.23 -43.13 5.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.426 ' OG ' ' NE2' ' A' ' 16' ' ' GLN . 24.6 m -83.02 118.53 23.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.345 0.593 . . . . 0.0 110.208 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.59 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.5 pttm -61.1 -11.81 9.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.008 0.432 . . . . 0.0 110.405 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.653 ' O ' ' CB ' ' A' ' 28' ' ' CYS . 6.8 m-85 -82.78 -43.72 16.4 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.321 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HG2' ' SG ' ' A' ' 32' ' ' CYS . 22.3 mtm-85 -73.73 10.41 1.13 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.956 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -170.17 31.86 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 120.074 -0.65 . . . . 0.0 112.41 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -159.92 -62.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.305 179.094 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.612 ' HB3' HD12 ' A' ' 7' ' ' ILE . 25.3 m-85 -100.04 -14.04 18.79 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.328 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.653 ' CB ' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -138.19 38.81 2.31 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.478 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.646 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -68.64 36.08 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.612 -178.722 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.585 ' CG ' ' N ' ' A' ' 31' ' ' THR . 2.5 pttp -166.69 -49.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.214 0.531 . . . . 0.0 110.555 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.612 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -51.73 -52.27 49.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.898 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.459 ' SG ' ' HG2' ' A' ' 24' ' ' ARG . 90.8 m -61.32 3.35 0.11 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.762 178.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.612 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 61.29 33.02 82.91 Favored Glycine 0 N--CA 1.462 0.397 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 -179.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.552 HG21 ' HA ' ' A' ' 29' ' ' ARG . 1.2 t -76.7 -48.97 17.24 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.667 0.27 . . . . 0.0 110.894 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.43 ' N ' HG23 ' A' ' 34' ' ' THR . 0.1 OUTLIER -68.89 -41.99 77.54 Favored 'General case' 0 C--O 1.223 -0.322 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.789 -179.649 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.314 -1.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.468 ' HD2' HD11 ' A' ' 4' ' ' ILE . 6.3 mmm-85 48.85 77.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.622 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.39 -30.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.461 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.448 ' C ' ' CG1' ' A' ' 4' ' ' ILE . 2.0 t -86.81 87.52 7.47 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.006 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.581 ' O ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -154.17 144.25 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.055 0.455 . . . . 0.0 110.888 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -137.04 164.99 27.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.196 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -153.96 15.08 0.48 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -130.06 131.05 23.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.538 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -42.75 140.72 2.78 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.417 2.078 . . . . 0.0 112.031 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 1.5 mppt? -62.13 -11.58 15.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.958 0.409 . . . . 0.0 110.205 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.42 -27.38 68.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.644 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -85.16 -19.48 31.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.642 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.12 92.99 8.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.25 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.441 ' C ' ' H ' ' A' ' 15' ' ' PHE . 7.3 p -110.98 169.25 8.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.74 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.63 -3.28 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.861 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.441 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -97.49 -48.15 5.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.861 179.616 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.561 ' OE1' ' CZ ' ' A' ' 23' ' ' TYR . 3.6 mm-40 -73.37 -34.94 65.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.123 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.666 ' C ' HH11 ' A' ' 24' ' ' ARG . 0.5 OUTLIER -86.52 19.05 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.44 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.748 ' N ' ' NH1' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -135.19 -36.1 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.399 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.697 ' C ' HH22 ' A' ' 24' ' ' ARG . 0.4 OUTLIER -97.7 -27.81 14.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.622 ' N ' HH12 ' A' ' 24' ' ' ARG . 0.2 OUTLIER -109.78 118.89 37.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.463 179.807 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.708 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.615 ' CD ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -60.89 7.12 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.254 0.55 . . . . 0.0 110.239 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.708 ' H ' ' C ' ' A' ' 21' ' ' NLE . 5.2 m-85 -112.17 -59.43 2.0 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.864 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.748 ' NH1' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.04 8.72 0.68 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.802 -179.084 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.999 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -147.21 15.42 1.16 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.791 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.581 ' O ' ' O ' ' A' ' 4' ' ' ILE . 5.2 m -152.9 -65.64 0.16 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.432 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.481 ' CZ ' ' HD2' ' A' ' 22' ' ' LYS . 14.3 m-85 -88.61 -38.13 15.08 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.086 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.675 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER -89.69 59.54 4.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.392 0.615 . . . . 0.0 110.293 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 1.7 mmm180 -82.73 15.43 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.72 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.502 ' N ' ' CD ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -146.51 -38.07 0.23 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.03 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.675 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -64.97 -67.49 0.43 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.553 -179.745 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.43 ' SG ' ' HB3' ' A' ' 24' ' ' ARG . 1.3 m -63.28 13.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.438 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.64 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 46.97 38.37 10.38 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 28' ' ' CYS . 14.1 t -93.97 2.46 56.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.568 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 35' ' ' CYS . 44.7 t -178.24 -1.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 O-C-N 120.028 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.589 ' C ' ' H ' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -66.12 -161.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.466 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 66.17 -12.75 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.347 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.876 ' O ' HG23 ' A' ' 4' ' ' ILE . 1.3 m -108.82 94.69 5.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.321 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.876 HG23 ' O ' ' A' ' 3' ' ' CYS . 5.6 pt -168.91 140.64 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.172 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -95.4 165.53 12.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.878 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.447 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.4 OUTLIER -142.23 8.02 1.8 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.414 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -138.02 152.1 71.34 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.328 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.522 ' C ' ' H ' ' A' ' 10' ' ' SER . 34.0 Cg_endo -67.34 141.66 57.29 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.974 2.449 . . . . 0.0 111.952 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -63.25 5.03 0.17 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.707 -179.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -72.91 -25.27 61.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.869 179.455 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -92.33 -13.01 30.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.318 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 t -80.69 96.48 6.91 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.801 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.61 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.3 p -105.09 159.93 15.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.625 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.27 11.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.961 0.41 . . . . 0.0 110.592 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.64 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -122.96 -27.76 4.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.351 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' NE2' ' OG ' ' A' ' 20' ' ' SER . 2.5 mm-40 -71.28 -40.93 70.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.971 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.458 ' SG ' ' HG3' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -82.39 8.85 10.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.266 179.87 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.484 ' HB3' ' ND1' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -114.93 -28.07 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.417 179.55 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.611 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 0.3 OUTLIER -108.43 -30.25 8.39 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.387 -179.793 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.483 ' OG ' ' NE2' ' A' ' 16' ' ' GLN . 1.3 m -105.67 115.68 30.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.642 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.721 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 26' ' ' SER . 0.0 OUTLIER -47.63 -4.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.178 179.689 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.721 ' H ' ' C ' ' A' ' 21' ' ' NLE . 3.7 m-85 -102.38 -33.28 9.62 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.465 ' HG2' ' SG ' ' A' ' 32' ' ' CYS . 5.6 mtm180 -82.87 10.53 7.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.395 -179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -176.12 43.46 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.09 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -161.24 -66.01 0.06 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.32 0.581 . . . . 0.0 110.467 179.105 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -100.91 -62.21 1.27 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.356 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.495 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 65.8 m -82.13 47.35 1.11 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.405 178.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.652 ' CD ' ' N ' ' A' ' 4' ' ' ILE . 0.8 OUTLIER -78.18 11.5 2.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.953 -179.084 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.486 ' CG ' ' NH1' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -131.85 -38.18 1.14 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.078 0.466 . . . . 0.0 109.835 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.489 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -63.32 -46.36 87.01 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.504 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.465 ' SG ' ' HG2' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -74.95 10.87 1.26 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.378 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 44.73 42.0 7.4 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.516 ' CG2' ' HA ' ' A' ' 29' ' ' ARG . 5.7 t -94.26 -31.07 14.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.977 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.502 ' CB ' HH21 ' A' ' 29' ' ' ARG . 13.4 t -125.33 31.35 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.577 0 O-C-N 120.245 -1.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . 0.405 ' HNH' ' H1B' ' A' ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 1' ' ' ARG . 3.4 mtp85 -84.07 -31.28 25.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.492 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.98 -164.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.491 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.1 m -110.05 67.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.741 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -156.7 150.28 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.968 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.484 ' CB ' ' HA ' ' A' ' 27' ' ' PHE . 2.8 t70 -134.39 -177.69 4.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.591 0.71 . . . . 0.0 112.572 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.442 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 47.4 p -87.61 24.56 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.772 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 7' ' ' ILE . 9.0 tt -103.35 123.84 40.25 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.188 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 10' ' ' SER . 68.1 Cg_endo -79.11 138.03 14.05 Favored 'Trans proline' 0 C--N 1.311 -1.431 0 C-N-CA 122.423 2.082 . . . . 0.0 110.949 178.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.22 -17.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.167 -179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 8' ' ' PRO . 2.9 t -82.06 22.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.192 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -133.42 -11.61 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.33 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.86 99.84 10.68 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.537 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.545 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.4 p -114.8 163.62 15.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.3 0.94 0.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.508 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.545 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -109.79 -37.11 5.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.066 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 1.4 tp60 -74.61 -46.82 35.96 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.81 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 8.63 1.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.366 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -122.18 -37.25 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.652 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.534 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 3.1 m80 -88.02 -60.3 2.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.299 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.676 ' OG ' ' CD1' ' A' ' 23' ' ' TYR . 92.8 p -82.47 89.79 6.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.94 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.674 ' O ' ' N ' ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.645 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -37.65 -27.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.007 -0.677 . . . . 0.0 109.794 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.676 ' CD1' ' OG ' ' A' ' 20' ' ' SER . 23.2 m-85 -70.98 -39.08 72.69 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.92 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.674 ' N ' ' O ' ' A' ' 21' ' ' NLE . 1.9 mtm180 -69.81 -14.04 62.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.552 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.58 44.92 0.46 Allowed 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.295 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.698 ' OG ' ' CD2' ' A' ' 27' ' ' PHE . 3.1 p -160.28 -64.77 0.07 Allowed 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.298 0.571 . . . . 0.0 110.453 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.698 ' CD2' ' OG ' ' A' ' 26' ' ' SER . 96.3 m-85 -90.16 -53.98 4.23 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.706 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.495 ' SG ' HD13 ' A' ' 7' ' ' ILE . 73.0 m -90.26 65.61 6.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.244 0.545 . . . . 0.0 110.232 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 mmm-85 -77.75 15.56 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.178 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HD2' ' H ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -153.24 -36.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.999 -179.731 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.548 ' C ' ' H ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -60.69 -60.61 3.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.153 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 5.71 0.22 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.948 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.548 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 59.11 27.29 62.34 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -74.06 -21.88 59.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.825 0.345 . . . . 0.0 110.41 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.2 t -157.86 132.84 8.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.468 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.068 -1.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . 0.536 ' O ' ' C ' ' A' ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.605 ' HE ' ' CA ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER 28.82 74.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.648 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -155.8 101.11 2.11 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.758 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -79.83 104.71 10.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.989 179.646 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.98 134.52 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 1.6 p30 -87.22 174.51 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.625 HG23 HG22 ' A' ' 7' ' ' ILE . 5.8 t -142.03 10.79 1.97 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.786 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.625 HG22 HG23 ' A' ' 6' ' ' THR . 0.1 OUTLIER -140.73 159.6 61.96 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.461 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.592 ' O ' ' N ' ' A' ' 10' ' ' SER . 12.0 Cg_endo -58.75 100.26 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.743 2.295 . . . . 0.0 112.182 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' CB ' ' HZ3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -45.23 -9.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.962 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.592 ' N ' ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -73.52 0.75 11.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.844 -179.792 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.85 -0.44 19.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' SG ' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -75.0 83.14 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.186 179.576 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.585 ' C ' ' H ' ' A' ' 15' ' ' PHE . 16.0 p -84.77 155.22 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.585 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.16 4.95 0.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.064 0.459 . . . . 0.0 109.887 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.604 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -113.44 -29.55 7.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.641 -179.649 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.476 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 22.8 mm-40 -75.25 -38.58 60.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.372 . . . . 0.0 110.459 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.8 t -81.36 20.73 0.83 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.643 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -138.52 -36.16 0.58 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.995 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.604 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 5.9 m80 -96.97 -29.39 13.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.293 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.56 136.25 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.767 179.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.746 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.501 ' HG3' ' CE2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -67.3 25.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.36 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.746 ' H ' ' C ' ' A' ' 21' ' ' NLE . 1.1 m-85 -121.95 -43.04 2.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.427 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 34' ' ' THR . 23.1 mtm180 -70.41 -9.81 57.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.972 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HA ' ' HE ' ' A' ' 29' ' ' ARG . 0.5 OUTLIER -161.3 45.14 0.17 Allowed 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.231 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.22 -58.84 0.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.535 ' O ' ' CB ' ' A' ' 5' ' ' ASP . 3.6 m-85 -100.12 -59.75 1.65 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.19 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.654 ' SG ' ' OG1' ' A' ' 31' ' ' THR . 1.7 m -91.04 62.05 4.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HE ' ' HA ' ' A' ' 25' ' ' LEU . 2.1 mmp_? -66.97 6.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.548 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -153.25 -41.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.947 -179.409 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.654 ' OG1' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -46.49 -50.97 16.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.392 -179.779 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 60.8 m -79.58 19.23 0.65 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.257 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 52.29 36.83 46.42 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.567 ' CB ' ' O ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -78.22 -47.85 17.09 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.922 -179.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.529 ' C ' ' O ' ' A' ' 34' ' ' THR . 3.2 t -29.14 -74.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.612 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.503 0 O-C-N 120.123 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 1' ' ' ARG . 0.3 OUTLIER -104.62 -41.65 5.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.153 -179.555 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.662 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 1.3 p -88.52 36.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.053 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.662 ' SG ' ' O ' ' A' ' 2' ' ' SER . 87.5 m -160.66 71.64 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.906 0.384 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.485 ' N ' ' HG2' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -152.55 129.44 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.184 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.11 157.5 17.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.199 0.523 . . . . 0.0 110.591 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.478 ' C ' ' CG2' ' A' ' 7' ' ' ILE . 41.3 p -136.32 6.34 3.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.556 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.538 ' O ' HD13 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -153.59 157.09 32.73 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.434 -178.426 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.63 ' C ' ' H ' ' A' ' 10' ' ' SER . 42.4 Cg_endo -74.39 155.06 46.01 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.403 2.069 . . . . 0.0 111.137 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -0.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.744 0.307 . . . . 0.0 111.105 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.63 ' H ' ' C ' ' A' ' 8' ' ' PRO . 13.6 t -80.92 -5.36 57.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.43 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.48 -2.49 16.51 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.34 96.81 7.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.51 ' C ' ' H ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -101.98 159.47 15.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.391 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.41 1.65 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.358 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.51 ' H ' ' C ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -106.89 -30.81 8.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.365 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.523 ' OE1' ' CZ ' ' A' ' 23' ' ' TYR . 4.5 mm-40 -83.33 -37.74 23.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.438 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 44.6 t -76.63 21.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.543 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 16' ' ' GLN . 5.8 tmtm? -139.1 -35.57 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.639 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.497 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 3.9 m80 -98.8 -41.17 7.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.584 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.477 ' OG ' ' NE2' ' A' ' 16' ' ' GLN . 75.7 m -85.63 119.95 26.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.518 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.691 ' C ' ' H ' ' A' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -68.38 30.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.49 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.691 ' H ' ' C ' ' A' ' 21' ' ' NLE . 3.5 m-85 -127.78 -47.52 1.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' NH2' ' CD ' ' A' ' 21' ' ' NLE . 0.0 OUTLIER -73.24 9.46 1.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.41 179.796 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.455 HD12 ' C ' ' A' ' 25' ' ' LEU . 2.7 pp -162.41 29.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.471 ' O ' ' O ' ' A' ' 4' ' ' ILE . 3.2 m -160.53 -62.91 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.729 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -81.53 -46.13 14.92 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.522 ' C ' ' H ' ' A' ' 30' ' ' LYS . 2.1 m -112.55 53.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.316 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.68 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -72.3 34.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.386 -179.818 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.555 ' HB3' HH21 ' A' ' 29' ' ' ARG . 2.4 pptp? -175.19 -47.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.314 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.457 ' N ' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -50.2 -30.61 11.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.281 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.9 m -102.43 19.28 19.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.221 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 53.83 38.19 59.13 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -91.86 -51.86 5.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.65 0.262 . . . . 0.0 110.662 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.591 ' O ' ' O ' ' A' ' 29' ' ' ARG . 22.6 t -131.15 96.3 4.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.648 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.474 0 O-C-N 120.086 -1.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' PFX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.2 mtm-85 -87.42 158.2 19.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.704 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p 179.44 47.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.276 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.824 ' C ' HD13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -149.67 23.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.656 -179.713 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.824 HD13 ' C ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -137.91 141.57 38.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.904 0.383 . . . . 0.0 110.664 -179.811 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -113.77 164.5 13.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.662 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.81 7.76 2.09 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.445 ' CG1' ' HB3' ' A' ' 27' ' ' PHE . 1.8 pp -137.6 150.24 67.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.397 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_endo -52.53 143.59 44.88 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.658 2.239 . . . . 0.0 111.952 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' C ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -67.43 -26.02 66.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.484 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.7 p -48.99 -42.56 38.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.051 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.628 ' CG ' HH11 ' A' ' 11' ' ' ARG . 0.0 OUTLIER -76.72 3.47 11.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.558 -179.797 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.488 ' SG ' HG21 ' A' ' 31' ' ' THR . 35.7 t -101.28 94.54 5.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.854 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.601 ' C ' ' H ' ' A' ' 15' ' ' PHE . 1.8 p -107.65 149.45 28.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.329 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.31 -3.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.049 0.452 . . . . 0.0 110.206 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.624 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -96.11 -39.78 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.036 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.576 ' OE1' ' CZ ' ' A' ' 15' ' ' PHE . 13.7 mm100 -72.08 -33.3 67.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.307 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.675 ' SG ' ' O ' ' A' ' 17' ' ' CYS . 1.9 t -74.18 1.79 10.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.518 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -121.0 -38.26 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.568 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 15' ' ' PHE . 2.8 m80 -85.0 -12.36 53.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.809 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.568 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 14.6 m -119.03 150.71 39.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.707 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' NLE . . . . . 0.436 ' HD3' HH22 ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.525 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -94.46 37.88 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.105 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.653 ' O ' ' N ' ' A' ' 28' ' ' CYS . 10.6 m-85 -124.1 -47.87 1.88 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.997 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.882 ' O ' HG21 ' A' ' 34' ' ' THR . 71.4 mtm-85 -67.38 -22.62 65.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.627 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.418 HD23 ' HB2' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -136.6 38.66 2.65 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.777 -178.6 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.505 ' O ' ' O ' ' A' ' 4' ' ' ILE . 1.3 m -160.34 -69.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.176 0.512 . . . . 0.0 110.569 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.525 ' CD2' ' O ' ' A' ' 22' ' ' LYS . 2.3 m-85 -93.16 -54.38 3.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.347 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.653 ' N ' ' O ' ' A' ' 23' ' ' TYR . 77.0 m -95.4 50.76 1.26 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.877 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.797 ' C ' ' HE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -79.84 18.08 0.85 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.626 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 31' ' ' THR . 14.9 pttm -149.67 -47.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.105 0.479 . . . . 0.0 111.128 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.557 ' C ' ' H ' ' A' ' 33' ' ' GLY . 1.1 m -47.12 -55.88 7.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.337 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.72 18.43 0.08 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.008 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' A' ' 31' ' ' THR . . . 48.33 40.33 22.52 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.882 HG21 ' O ' ' A' ' 24' ' ' ARG . 8.5 t -87.94 -40.04 14.25 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.318 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 1.1 t -112.98 -173.08 2.18 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.614 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 120.028 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_