data_2yrt_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 2yrt _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 8' ' ' MET . . . . . 0.442 ' O ' ' CD ' ' A' ' 23' ' ' PRO . 4.3 ptp . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.817 0.341 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.55 99.49 7.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.9 mt -81.02 139.28 35.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.2 tp -79.91 124.7 28.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.462 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.8 t -72.69 144.17 47.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.498 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 60.4 m-85 -123.8 38.36 4.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.499 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 82.7 m-20 -109.28 127.78 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 -49.12 121.53 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.2 -22.76 30.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -105.11 -71.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.54 17.68 0.8 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -104.12 167.91 9.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 -77.25 173.96 11.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.678 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 44.0 p90 -172.71 165.55 5.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -107.29 128.85 25.2 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.536 0.684 . . . . 0.0 110.917 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.442 ' CD ' ' O ' ' A' ' 8' ' ' MET . 54.3 Cg_endo -69.76 -43.66 2.53 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.631 2.221 . . . . 0.0 112.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -8.21 17.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -124.59 -20.18 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' ASP . 62.4 t-20 -47.0 141.72 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.451 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 41.0 m -145.93 163.27 35.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -7.59 5.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -131.49 37.31 3.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.87 -16.24 8.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 43.4 t -114.73 129.52 56.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER -117.74 99.82 7.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.499 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 22.5 p90 -126.82 -175.83 3.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.98 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.565 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.8 m-70 -116.79 105.24 50.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.671 0.748 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.22 2.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.368 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.66 -147.75 21.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.509 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.81 155.13 76.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 111.144 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 54.3 Cg_endo -69.76 121.75 8.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.655 2.237 . . . . 0.0 112.422 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.425 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.24 152.74 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.051 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.425 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -136.81 95.84 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.501 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 11.0 p80 -122.39 130.43 53.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 54.58 40.47 31.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 68.02 8.51 6.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.443 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 9.4 mt -101.43 99.07 9.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 12.6 mttp -82.22 121.1 26.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.54 -147.68 4.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.435 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 49.5 m95 -141.7 148.68 39.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.715 0.293 . . . . 0.0 110.978 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -79.19 11.23 2.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 p -96.51 -44.0 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 1.8 p -119.97 178.9 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -92.23 -8.67 44.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 6.6 tpm_? -54.64 137.95 42.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.501 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.9 tpp180 -153.67 129.28 10.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 60' ' ' PHE . 15.0 t -134.22 154.82 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.422 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . 72.5 p -101.48 -15.23 17.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 58' ' ' SER . 4.9 t70 -85.23 103.63 14.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' ASP . 53.5 t80 -36.91 -29.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 56' ' ' ASP . 5.6 t -72.63 -50.45 25.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 56' ' ' ASP . 19.6 m-20 -57.81 -40.79 80.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.465 ' N ' HG22 ' A' ' 54' ' ' THR . 8.8 t80 -51.17 -47.79 62.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.823 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.7 mt -75.82 -5.24 44.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -100.52 -31.23 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 62' ' ' SER . 83.4 mt -34.26 105.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 p -59.83 137.57 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.96 145.07 4.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.543 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.412 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 28.6 p -98.27 -10.95 23.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.482 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 90.7 m -110.38 164.53 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.482 ' N ' ' CG2' ' A' ' 67' ' ' THR . 36.7 mmtt -127.49 142.19 51.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.32 -155.22 13.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -104.62 123.09 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.678 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 68.1 m-70 -40.75 136.21 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.488 ' ND2' ' OD1' ' A' ' 14' ' ' ASN . 33.2 m-20 -90.81 108.75 20.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.3 p -79.71 8.69 6.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -136.15 144.52 45.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.498 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 25.1 mtmt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 ptp . . . . . 0 N--CA 1.458 -0.039 0 CA-C-O 120.831 0.348 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.14 101.17 6.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 14.4 mt -82.48 140.6 33.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.2 tp -79.79 125.68 30.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' N ' HD12 ' A' ' 11' ' ' LEU . 12.3 t -80.28 133.63 36.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -113.35 32.2 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 87.7 m-20 -99.15 122.88 42.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.6 mtm-85 -43.66 127.96 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.77 -19.36 54.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.25 -71.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.37 18.01 0.82 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -110.84 161.34 15.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -70.76 175.74 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.601 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 34.0 p90 -172.75 166.06 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 26' ' ' ASN . 1.5 m-20 -108.45 127.65 27.09 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.565 0.698 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -44.13 2.23 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.317 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.78 -12.63 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -120.62 -20.9 6.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' ASP . 64.4 t-20 -45.8 137.02 5.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -141.25 164.55 29.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -7.69 5.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.796 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -132.18 38.32 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.35 -15.51 7.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.6 t -114.14 125.6 54.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.0 100.55 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.157 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.461 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 34.5 p90 -126.91 -175.77 3.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.57 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.1 m-70 -116.77 106.51 47.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.803 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 2.92 3.07 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.295 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.72 -148.11 20.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.413 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.16 155.23 76.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.584 0.706 . . . . 0.0 111.129 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 54.0 Cg_endo -69.74 120.63 7.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.266 . . . . 0.0 112.279 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -117.9 152.34 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.068 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.423 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.87 95.99 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.533 ' NE2' ' CZ ' ' A' ' 53' ' ' ARG . 10.3 p80 -122.35 130.67 53.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 54.79 40.57 32.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 68.35 7.63 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.452 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 12.3 mt -100.75 101.46 12.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -84.41 120.43 26.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.27 -147.96 4.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.436 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 51.6 m95 -142.0 149.28 39.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.775 0.321 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.4 t -79.65 11.79 2.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 p -97.56 -41.54 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 p -123.92 179.71 4.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -88.83 -23.63 22.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.4 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 4.3 tpm_? -40.62 136.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.533 ' CZ ' ' NE2' ' A' ' 41' ' ' HIS . 11.2 tpp180 -153.76 136.91 15.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' A' ' 59' ' ' ASP . 12.9 t -146.81 154.32 41.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.1 p -96.36 -30.15 13.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 59' ' ' ASP . 13.2 m-20 -69.84 104.4 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -41.38 -29.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -71.25 -40.71 70.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.459 ' HB3' ' CG2' ' A' ' 54' ' ' THR . 24.6 t70 -67.42 -43.25 81.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.26 -34.98 25.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mt -81.4 -17.67 48.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -86.83 -32.45 20.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 62' ' ' SER . 94.8 mt -33.99 102.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.1 t -61.08 136.22 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -44.35 143.7 2.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.2 p -98.41 -9.34 25.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 85.3 m -112.78 164.07 13.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.199 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.469 ' N ' ' CG2' ' A' ' 67' ' ' THR . 11.1 mmtp -126.25 143.87 50.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.59 -152.45 10.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -109.46 124.03 50.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.601 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 68.9 m-70 -42.6 142.62 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.817 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -102.12 108.23 19.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.8 t -79.84 8.1 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -132.81 132.01 41.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.8 ptp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.746 0.308 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.13 96.89 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.7 mt -79.28 140.17 37.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 tp -81.88 123.64 29.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.8 t -75.96 137.46 40.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -118.37 34.74 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.509 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 86.4 m-20 -104.3 122.66 45.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -43.75 125.88 4.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.59 -18.32 53.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.3 -71.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.904 0.383 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.08 18.63 0.84 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -109.37 161.4 15.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.769 0.319 . . . . 0.0 110.938 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -71.57 175.66 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.682 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 35.2 p90 -172.68 164.73 5.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.461 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 0.9 OUTLIER -111.29 125.61 30.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 0.0 110.877 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -39.74 6.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -51.43 -17.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.38 -25.74 3.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' THR . 7.6 t-20 -34.5 140.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.0 m -149.09 169.57 20.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.41 -4.78 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -132.22 35.69 3.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.89 -14.69 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.6 t -117.2 126.48 52.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -115.06 101.93 9.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.07 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.509 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 21.1 p90 -127.91 -175.77 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.565 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.1 m-70 -117.32 105.1 49.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 3.25 2.9 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.27 -147.33 20.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.16 155.22 76.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.422 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.76 121.99 8.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.306 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.57 151.92 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 179.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.49 95.96 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.512 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 9.6 p80 -122.27 130.21 52.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.3 OUTLIER 55.27 39.31 31.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 69.36 7.38 6.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 9.6 mt -100.35 100.54 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -82.97 119.6 24.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.17 -148.36 4.73 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.422 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 56.4 m95 -141.33 149.75 41.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -80.2 12.68 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 p -98.86 -45.42 6.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.408 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 2.4 p -119.4 -176.68 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -92.58 -21.78 19.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -41.91 134.52 2.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.512 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.2 tpp180 -151.46 124.69 8.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 60' ' ' PHE . 7.5 t -135.5 145.0 46.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -90.12 -26.27 20.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 58' ' ' SER . 48.1 t0 -70.94 100.77 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ASP . 47.1 t80 -36.52 -30.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 56' ' ' ASP . 8.5 t -71.47 -48.33 49.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' ASP . 45.7 m-20 -61.43 -39.59 91.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.529 ' CE2' HD23 ' A' ' 61' ' ' LEU . 4.9 t80 -54.39 -40.05 67.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.773 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.529 HD23 ' CE2' ' A' ' 60' ' ' PHE . 37.3 mt -81.86 -3.06 53.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 t -104.36 -28.57 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 62' ' ' SER . 68.6 mt -34.05 106.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.181 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.75 133.62 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -45.19 145.61 2.38 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.408 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 28.3 p -98.2 -15.21 19.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 98.5 m -106.86 162.76 13.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.098 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.476 ' N ' ' CG2' ' A' ' 67' ' ' THR . 11.2 mmtp -126.27 143.1 51.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.33 -154.85 13.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -104.13 127.64 51.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.765 0.317 . . . . 0.0 110.945 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.682 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 85.7 m-70 -43.68 135.39 3.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.496 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 12.9 m-20 -87.94 101.75 14.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 p -75.51 0.17 18.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -124.89 156.3 38.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 ptp . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.773 0.32 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.93 98.53 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.7 mt -79.3 143.57 35.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.5 tp -83.87 124.48 31.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' N ' HD12 ' A' ' 11' ' ' LEU . 20.2 t -76.63 141.52 41.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -121.73 35.85 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.506 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 85.8 m-20 -105.75 123.64 48.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -43.17 125.91 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.77 -16.91 58.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -109.18 -71.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.4 19.42 0.44 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -109.04 168.32 9.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 mmt-85 -76.55 174.27 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.598 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 41.0 p90 -172.74 166.07 5.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -108.29 128.28 25.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.563 0.697 . . . . 0.0 110.925 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -43.78 2.47 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.724 2.283 . . . . 0.0 112.357 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -61.99 -10.5 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 p -125.28 -18.41 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' ASP . 40.6 t-20 -56.52 137.78 52.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.453 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -142.1 -170.23 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -82.47 -0.94 48.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -135.91 32.03 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.02 -13.58 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.538 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 43.6 t -117.18 124.82 50.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.75 97.5 6.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.506 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 27.8 p90 -124.01 -175.67 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.568 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.1 m-70 -116.88 106.43 47.82 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 3.41 2.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.61 -147.99 20.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.99 155.22 76.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 111.175 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.448 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 54.1 Cg_endo -69.77 122.5 9.17 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.708 2.272 . . . . 0.0 112.377 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.83 152.18 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.428 ' N ' HG22 ' A' ' 39' ' ' VAL . 1.1 m-85 -135.94 95.5 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.51 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 8.8 p80 -122.78 130.85 53.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.7 m-20 54.71 39.93 31.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.24 11.14 8.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.447 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 12.0 mt -103.99 98.78 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -80.82 121.22 25.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.6 -148.37 4.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.47 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.448 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 48.3 m95 -142.15 148.86 38.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 t -78.79 10.35 3.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.79 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 p -96.12 -46.98 6.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 1.6 p -117.25 -179.05 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -93.41 -11.98 30.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -51.73 131.45 30.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.51 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -147.86 126.6 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 60' ' ' PHE . 12.3 t -132.37 151.88 51.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.416 ' CG2' HD22 ' A' ' 44' ' ' LEU . 81.1 p -98.11 -12.81 21.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -91.83 108.57 20.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.551 ' CZ ' HD13 ' A' ' 61' ' ' LEU . 44.8 t80 -40.62 -46.53 2.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.0 t -55.75 -42.69 75.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -70.17 -41.81 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.467 ' CE2' HD22 ' A' ' 61' ' ' LEU . 2.6 t80 -49.93 -43.07 49.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.551 HD13 ' CZ ' ' A' ' 57' ' ' PHE . 8.6 mt -77.83 -11.46 59.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.2 t -91.99 -28.71 17.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 62' ' ' SER . 64.2 mt -34.0 104.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.1 p -58.73 130.66 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -41.75 144.15 0.88 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.446 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 29.2 p -98.5 -9.39 25.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.931 0.396 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 86.2 m -112.9 163.75 14.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.463 ' N ' ' CG2' ' A' ' 67' ' ' THR . 14.2 mmtp -126.98 142.51 51.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.47 -152.95 10.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.7 mtt-85 -105.91 129.35 54.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.598 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 77.0 m-70 -48.02 136.12 11.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.486 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 16.2 m-20 -90.75 106.51 18.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.7 p -76.39 2.33 13.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -128.16 150.74 49.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.0 mttt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.6 ptp . . . . . 0 N--CA 1.46 0.054 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.52 100.84 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 15.6 mt -79.96 141.68 35.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.443 HD13 ' N ' ' A' ' 12' ' ' CYS . 3.8 tp -83.92 127.24 33.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' N ' HD13 ' A' ' 11' ' ' LEU . 10.3 t -79.56 143.08 35.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.524 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 91.3 m-85 -123.35 31.51 5.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.471 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 85.5 m-20 -96.99 128.77 44.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.418 ' HB3' ' CH2' ' A' ' 47' ' ' TRP . 32.7 mtp85 -50.67 112.81 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.33 -9.31 28.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.6 t -116.47 -70.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.99 19.58 0.58 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -108.03 164.52 12.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 110.968 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.3 mmt-85 -75.79 173.45 11.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.669 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 43.0 p90 -172.19 166.9 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -108.74 128.11 26.14 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.656 0.741 . . . . 0.0 110.86 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -43.96 2.4 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -10.08 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 p -123.91 -19.59 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 27' ' ' SER . 58.4 t-20 -44.27 140.26 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.466 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 6.4 m -145.38 173.43 12.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.36 -7.13 45.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -132.31 37.01 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.7 -15.59 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.547 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 33.5 t -117.19 129.98 56.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 65' ' ' GLY . 1.6 m -117.13 104.17 10.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.471 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 32.9 p90 -130.89 -175.81 3.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.553 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.8 m-70 -117.51 108.01 43.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -2.42 10.16 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.98 -148.4 24.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.571 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.23 155.14 76.0 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.704 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 108.96 2.19 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.306 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.432 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -106.98 153.31 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.432 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -136.92 96.12 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.549 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.28 130.85 53.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.66 41.67 32.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 67.8 6.53 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.029 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.455 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 8.4 mt -99.25 93.37 5.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.975 0.417 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 11.8 mttp -80.25 117.21 20.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.98 -148.64 4.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.435 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.418 ' CH2' ' HB3' ' A' ' 15' ' ' ARG . 68.5 m95 -134.19 152.5 51.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.5 p -83.62 9.88 10.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.6 p -95.98 -50.73 4.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.6 p -112.78 -176.47 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -93.35 -16.86 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -44.21 133.73 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.549 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.8 tpp180 -153.12 138.22 17.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.802 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 60' ' ' PHE . 3.1 t -142.86 148.85 37.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.442 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . 4.4 p -89.87 -19.09 25.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -81.18 124.44 29.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -56.29 -30.86 63.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.5 t -73.41 -60.52 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -46.37 -37.7 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.487 ' CE2' HD22 ' A' ' 61' ' ' LEU . 4.0 t80 -50.49 -40.96 52.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.487 HD22 ' CE2' ' A' ' 60' ' ' PHE . 7.8 mt -78.17 -12.67 60.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -87.21 -31.02 20.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 62' ' ' SER . 79.4 mt -33.99 102.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.27 138.1 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.553 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -47.4 143.41 5.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.3 p -99.26 -20.75 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 87.4 m -101.08 163.28 12.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.458 ' N ' ' CG2' ' A' ' 67' ' ' THR . 6.5 mmtm -126.31 144.89 50.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.67 -149.54 8.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -109.61 127.76 54.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.669 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 66.5 m-70 -47.1 139.32 5.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -96.64 103.37 15.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.5 p -75.01 3.38 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -116.33 151.61 35.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.524 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 ptp . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.88 98.34 9.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 10.4 mt -79.3 138.79 37.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 12' ' ' CYS . 4.8 tp -79.68 125.04 29.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' N ' HD13 ' A' ' 11' ' ' LEU . 16.8 t -77.42 140.77 39.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -120.97 33.26 5.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.456 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 85.5 m-20 -102.77 125.93 49.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -46.06 123.64 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.64 -21.21 39.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.6 -70.97 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.38 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.29 18.85 0.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -110.06 164.61 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -73.13 171.88 12.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.604 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 44.8 p90 -170.33 165.72 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -108.24 128.2 26.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.61 0.719 . . . . 0.0 110.818 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -43.77 2.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -60.62 -11.71 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -125.16 -19.68 5.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . 37.4 t-20 -54.36 132.11 43.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.45 -170.06 2.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -82.09 -1.46 48.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -135.09 32.11 3.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.17 -12.78 10.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 47.4 t -117.2 125.62 51.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' A' ' 65' ' ' GLY . 1.1 m -113.8 96.54 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.456 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 39.4 p90 -123.58 -175.8 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.498 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.7 m-70 -117.58 108.98 42.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.594 0.711 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.4 3.56 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.744 2.296 . . . . 0.0 112.326 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.56 -149.94 23.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.95 155.14 76.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 111.114 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.456 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.82 117.14 4.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -116.28 154.2 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 m-85 -136.78 95.98 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.55 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.45 130.46 53.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 53.77 41.89 31.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 67.55 6.72 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 9.5 mt -99.65 99.26 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -84.71 117.7 23.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.75 -150.79 5.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.456 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 64.6 m95 -135.67 149.95 49.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.302 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.0 t -79.88 12.1 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.6 p -99.21 -50.61 4.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.9 p -114.09 179.96 3.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -89.65 -20.97 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.467 ' CG ' HG12 ' A' ' 63' ' ' ILE . 18.7 tpp180 -41.78 130.12 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.55 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -146.95 136.8 23.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 60' ' ' PHE . 10.7 t -148.44 146.24 28.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.7 p -90.25 -27.26 19.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 59' ' ' ASP . 7.0 t0 -71.56 104.5 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -41.09 -35.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -67.23 -40.76 86.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -68.3 -41.77 80.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.454 ' N ' HG22 ' A' ' 54' ' ' THR . 1.3 t80 -52.3 -36.36 52.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.1 mt -79.57 -18.5 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.3 t -86.21 -30.88 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.467 HG12 ' CG ' ' A' ' 52' ' ' ARG . 80.9 mt -34.04 101.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.217 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.9 p -58.87 139.29 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.069 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.498 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -47.16 143.91 5.31 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.441 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 p -99.04 -14.17 19.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 91.0 m -108.44 163.97 12.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.455 ' N ' ' CG2' ' A' ' 67' ' ' THR . 31.7 mmtt -127.35 142.15 51.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.6 -154.63 13.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.1 mtm105 -103.71 127.91 51.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.604 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 63.7 m-70 -47.51 140.99 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.437 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 20.0 m-20 -96.83 108.68 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.6 p -83.25 16.14 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -136.32 133.67 37.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.9 mttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.756 0.312 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.5 101.54 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.054 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.8 mt -80.92 136.04 35.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 12' ' ' CYS . 1.5 tp -79.79 122.13 26.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.464 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.7 t -78.27 134.07 37.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.405 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 94.3 m-85 -111.76 11.5 20.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.492 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 87.3 m-20 -77.5 126.37 30.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.817 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -47.87 130.42 14.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.04 -17.96 57.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -108.27 -71.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.949 0.404 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.19 17.9 1.15 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.549 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -109.19 169.82 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -80.86 173.57 12.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.815 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.671 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 37.3 p90 -171.71 163.99 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.466 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 15.6 m-20 -111.28 126.36 28.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -38.43 7.84 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.46 -16.45 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.59 -25.67 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' THR . 9.5 t-20 -34.26 138.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.405 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 5.0 m -144.46 174.59 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.5 -3.2 23.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -134.73 36.45 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.82 -13.56 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.0 t -117.22 123.66 47.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.19 96.2 5.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.476 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 38.3 p90 -123.24 -175.68 3.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.521 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.5 m-70 -117.69 108.41 43.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.59 0.709 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.55 3.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.342 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.97 -150.08 23.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.98 155.13 76.43 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.68 0.752 . . . . 0.0 111.07 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.6 Cg_endo -69.79 117.72 5.25 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -117.48 153.96 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.447 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 m-85 -136.73 96.13 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.551 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.41 128.89 51.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 55.11 41.67 31.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 67.71 6.01 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 8.1 mt -98.94 97.67 8.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -83.25 117.61 23.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.98 -151.73 5.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.416 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 65.5 m95 -134.79 150.09 50.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.787 0.327 . . . . 0.0 110.984 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.4 t -80.3 13.06 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.1 p -100.21 -49.36 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 p -115.54 -178.32 3.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' ARG . 10.6 mtmt -89.32 -26.87 20.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.45 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 2.3 tpm_? -35.03 135.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.937 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.551 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -153.72 128.2 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.0 t -139.31 140.35 37.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.5 p -83.98 -27.83 28.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -70.75 104.68 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -42.45 -28.32 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -72.3 -47.44 49.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.82 -40.67 97.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.546 ' CE2' HD22 ' A' ' 61' ' ' LEU . 2.4 t80 -50.09 -38.32 38.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.546 HD22 ' CE2' ' A' ' 60' ' ' PHE . 47.6 mt -79.37 -18.54 52.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 t -86.17 -30.44 22.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.45 ' CG2' ' HG2' ' A' ' 52' ' ' ARG . 90.9 mt -35.36 101.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.183 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.13 147.12 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.521 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -54.42 143.57 30.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.502 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.5 p -98.71 -10.94 22.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 86.0 m -111.99 164.04 13.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.095 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.462 ' N ' ' CG2' ' A' ' 67' ' ' THR . 34.4 mmtt -127.03 143.17 51.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.91 -154.63 13.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -103.5 127.99 50.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.671 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 79.1 m-70 -47.87 133.81 13.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 29.2 p-10 -89.74 104.99 17.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.8 p -79.02 6.67 8.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -113.7 147.37 38.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.4 ptp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.732 0.301 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.99 101.51 8.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 14.2 mt -81.79 138.98 35.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.5 tp -79.73 122.19 26.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.463 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.3 t -71.09 145.14 50.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 60.0 m-85 -126.53 37.22 4.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.506 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 85.9 m-20 -108.52 122.56 47.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -43.92 120.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.97 -16.25 36.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.514 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 t -113.29 -71.14 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.897 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.2 18.03 0.77 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -105.89 168.68 8.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.948 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -77.3 170.33 16.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.633 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 44.9 p90 -170.21 165.19 9.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.74 128.52 25.38 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.547 0.689 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.92 2.36 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.64 2.227 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.63 -15.12 6.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.26 -25.37 6.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.176 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 27' ' ' SER . 53.2 t-20 -37.4 139.66 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 6.9 m -144.75 170.08 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -69.1 -7.98 41.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.3 p30 -132.89 35.18 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.42 -14.91 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.055 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.553 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 44.4 t -117.2 132.15 56.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.816 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -119.18 99.99 7.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.506 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 29.7 p90 -127.37 -175.85 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.496 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.7 m-70 -117.06 107.35 45.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 2.95 3.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.59 -150.0 24.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.24 155.08 77.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.689 0.757 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.76 119.16 6.15 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.674 2.249 . . . . 0.0 112.367 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -119.29 153.62 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.028 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.78 95.98 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.552 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.38 130.05 52.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 54.19 42.08 31.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 67.53 6.6 5.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.455 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 8.1 mt -99.34 98.89 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -84.97 116.72 23.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.97 -150.92 5.29 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.525 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.42 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 63.7 m95 -135.2 149.84 49.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.8 t -79.72 11.83 2.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 p -97.68 -51.37 4.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.8 p -113.79 -176.05 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 52' ' ' ARG . 13.4 mtpp -90.73 -28.04 18.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' LYS . 16.3 tpp180 -34.44 133.84 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.552 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.6 tpp180 -153.11 125.37 8.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 60' ' ' PHE . 13.1 t -132.13 150.03 52.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.9 p -92.16 -29.53 16.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' SER . 68.3 m-20 -71.95 105.93 4.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -39.18 -28.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' ASP . 2.4 t -71.94 -53.12 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.19 -42.25 69.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.449 ' N ' HG23 ' A' ' 54' ' ' THR . 2.9 t80 -51.06 -37.92 48.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.426 HD22 ' CE2' ' A' ' 60' ' ' PHE . 30.1 mt -81.02 -14.5 57.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.4 t -91.45 -31.67 15.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 62' ' ' SER . 90.4 mt -34.11 101.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.73 140.26 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.496 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -47.24 145.55 4.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.8 p -99.48 -18.56 17.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.942 0.401 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 95.4 m -103.99 164.67 11.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.491 ' N ' ' CG2' ' A' ' 67' ' ' THR . 15.9 mmtp -127.13 143.74 51.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.44 -154.68 13.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -104.39 126.02 51.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.387 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.633 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 61.4 m-70 -44.12 134.68 4.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 13' ' ' TYR . 12.4 m-20 -90.34 108.51 19.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -81.92 6.6 15.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -133.2 127.34 33.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.57 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 20.2 mmtt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 ptp . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.2 95.84 10.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 9.7 mt -79.72 139.25 37.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.8 tp -79.99 123.54 27.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.442 ' N ' HD12 ' A' ' 11' ' ' LEU . 28.3 t -79.5 138.55 37.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.556 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 94.5 m-85 -119.48 35.22 4.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.479 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 89.3 m-20 -96.92 157.44 15.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HB3' ' CZ3' ' A' ' 47' ' ' TRP . 6.2 mmt85 -69.51 115.33 8.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.42 -30.8 9.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -89.12 -72.34 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.14 19.32 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -114.19 170.34 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 110.959 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 mmt-85 -73.85 175.09 7.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 34.2 p90 -172.81 165.55 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.459 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 1.1 m-20 -111.59 122.51 37.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.721 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -39.13 6.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 0.0 112.427 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -50.78 -17.94 0.64 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -127.06 -26.39 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -39.67 130.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.52 -170.56 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -81.78 -1.07 45.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -136.33 34.81 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.59 -12.31 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.49 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 41.0 t -117.19 123.31 46.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.5 100.33 9.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.479 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 50.1 p90 -127.58 -175.63 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.469 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 92.2 m-70 -119.55 113.34 34.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.596 0.712 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 3.17 2.95 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.78 -149.77 16.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.538 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.86 155.02 76.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.9 Cg_endo -69.75 106.82 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.329 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -103.42 154.34 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.457 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.4 m-85 -136.77 95.7 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.55 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.75 131.13 53.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 53.49 41.52 32.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 66.93 9.36 6.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.455 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 10.5 mt -101.67 95.0 6.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -80.74 117.58 21.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.52 -150.9 5.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.435 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 54.9 m95 -134.82 146.69 49.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.738 0.304 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.5 t -78.32 9.54 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 p -97.3 -48.01 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.7 p -113.29 -179.18 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -93.4 -15.05 26.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -48.95 132.49 18.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.55 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 11.4 tpp180 -149.22 135.53 19.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 60' ' ' PHE . 15.2 t -141.68 154.86 45.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.3 p -99.8 -24.48 14.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' PHE . 32.1 t0 -75.78 101.72 5.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' ASP . 6.2 t80 -37.19 -40.74 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 m -64.58 -49.2 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -60.4 -39.81 88.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.464 ' N ' HG23 ' A' ' 54' ' ' THR . 2.0 t80 -52.39 -44.28 65.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.5 mt -71.9 -11.58 60.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.3 t -89.2 -31.43 17.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 62' ' ' SER . 88.5 mt -34.07 100.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.16 137.63 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.469 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -42.8 142.76 1.57 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.9 p -99.07 -12.77 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.0 m -111.77 161.48 16.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -123.18 147.14 47.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.2 -152.36 12.04 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.377 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -107.75 130.27 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.736 0.303 . . . . 0.0 110.9 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.618 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 76.9 m-70 -46.88 136.01 8.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.421 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 16.9 m-20 -92.02 108.77 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 p -81.37 6.09 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -106.8 127.2 53.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.556 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 36.8 mttm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.837 0.351 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.06 100.58 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 15.3 mt -79.33 142.28 36.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.46 HD11 ' N ' ' A' ' 12' ' ' CYS . 2.1 tp -85.54 122.55 29.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.46 ' N ' HD11 ' A' ' 11' ' ' LEU . 8.0 t -77.93 126.9 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 93.2 m-85 -102.99 6.95 39.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.849 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.492 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 90.3 m-20 -73.51 131.57 41.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -53.7 131.26 38.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.89 -21.63 44.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.503 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.34 -71.59 0.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.829 0.347 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.04 16.38 1.87 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.03 169.99 8.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 mmt-85 -81.15 174.69 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.623 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 40.7 p90 -172.67 164.27 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 56.1 m-20 -111.76 126.18 28.98 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.633 0.73 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -35.47 12.55 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -13.2 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -128.19 -27.9 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 27' ' ' SER . 63.4 t-20 -34.04 139.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.477 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 5.8 m -142.06 -178.47 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -78.33 -5.85 53.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -134.46 36.61 3.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.23 -13.56 9.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.573 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.5 t -117.16 128.8 55.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.05 96.32 5.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.466 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 36.8 p90 -124.2 -175.75 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.532 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.3 m-70 -117.24 108.53 43.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 3.26 2.91 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.68 2.253 . . . . 0.0 112.366 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.82 -148.56 20.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.09 155.21 76.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 111.171 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.6 Cg_endo -69.72 117.79 5.29 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.718 2.279 . . . . 0.0 112.414 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.43 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -114.5 152.55 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.185 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.43 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -136.52 95.86 3.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.519 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 9.5 p80 -122.48 130.6 53.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 54.97 39.49 31.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 68.87 8.44 6.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.453 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 9.1 mt -101.26 100.08 10.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -82.63 119.98 24.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.97 -148.66 4.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.43 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 53.5 m95 -140.83 149.03 41.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.809 0.338 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -79.38 11.01 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.3 p -98.8 -43.42 6.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -120.97 179.57 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -91.24 -18.14 24.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CG ' HG12 ' A' ' 63' ' ' ILE . 11.9 tpt180 -46.16 125.25 6.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.519 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.3 tpp180 -142.31 127.67 18.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 60' ' ' PHE . 14.2 t -135.45 151.6 50.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.4 p -97.4 -23.24 16.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' ASP . 14.0 t0 -78.12 105.81 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.54 ' CZ ' HD13 ' A' ' 61' ' ' LEU . 19.6 t80 -40.14 -37.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -66.0 -39.44 90.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.788 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' ASP . 73.8 m-20 -71.4 -40.58 70.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.823 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.464 ' N ' HG22 ' A' ' 54' ' ' THR . 2.7 t80 -53.07 -42.94 66.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.54 HD13 ' CZ ' ' A' ' 57' ' ' PHE . 4.3 mt -75.62 -13.04 60.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 t -90.51 -28.13 18.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.796 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.457 HG12 ' CG ' ' A' ' 52' ' ' ARG . 73.5 mt -35.59 102.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.1 p -58.79 137.28 21.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.532 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.45 142.91 4.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.464 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.4 p -98.08 -10.89 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 95.6 m -111.78 164.75 12.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.496 ' N ' ' CG2' ' A' ' 67' ' ' THR . 9.0 mmtp -127.84 144.03 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.96 -154.98 15.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -103.49 126.86 50.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.623 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 73.2 m-70 -46.06 134.88 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 30.5 p-10 -90.88 110.12 21.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.2 t -82.19 18.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -142.25 128.46 19.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.8 ptp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.762 0.315 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.05 101.93 8.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.7 mt -82.25 135.84 35.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.4 tp -79.89 129.16 34.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' N ' HD12 ' A' ' 11' ' ' LEU . 13.6 t -85.74 138.05 32.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.486 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 96.5 m-85 -113.74 11.59 18.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.867 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 87.1 m-20 -77.2 125.36 29.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -45.6 128.42 8.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.78 -22.29 41.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.25 -71.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.908 0.385 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.22 19.38 0.64 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -112.94 171.34 7.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.0 mmt-85 -80.39 173.25 12.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.617 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 38.2 p90 -171.74 164.64 6.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -106.82 128.1 26.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -44.0 2.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -11.49 12.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 p -120.61 -23.73 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 27' ' ' SER . 55.5 t-20 -41.07 140.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.478 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 4.4 m -144.81 162.93 35.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -7.36 6.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 29' ' ' ASP . 48.6 p30 -133.44 38.89 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.27 -12.03 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.534 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 44.7 t -117.21 122.59 44.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.12 97.1 6.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.462 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 24.4 p90 -124.97 -175.73 3.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.572 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.1 m-70 -116.98 105.95 48.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.606 0.717 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 3.11 2.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.49 -147.43 20.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.95 155.26 76.4 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.62 0.724 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.419 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.4 Cg_endo -69.79 122.06 8.74 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.4 151.96 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.414 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -136.73 96.04 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.481 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 10.2 p80 -122.28 130.99 53.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 54.79 38.58 30.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 71.45 2.62 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 8.1 mt -95.98 104.18 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -86.75 119.95 27.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.43 -148.2 4.69 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.419 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 56.7 m95 -140.99 149.87 42.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.4 p -79.92 12.15 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 p -98.71 -44.07 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 p -120.27 -177.49 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -92.68 -21.28 20.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.455 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 26.0 tpt180 -42.35 136.39 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.481 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.9 tpp180 -152.35 137.73 17.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 60' ' ' PHE . 15.0 t -148.66 148.62 30.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.6 p -90.53 -29.44 17.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 59' ' ' ASP . 15.2 t0 -72.44 108.69 5.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.547 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 24.5 t80 -43.28 -34.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.7 m -66.73 -37.68 85.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.441 ' CB ' HG23 ' A' ' 54' ' ' THR . 4.4 m-20 -69.74 -43.26 72.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.447 ' N ' HG23 ' A' ' 54' ' ' THR . 1.4 t80 -53.97 -32.77 54.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.547 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 8.3 mt -85.03 -9.94 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.2 t -97.57 -29.51 13.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.467 HG22 ' CE1' ' A' ' 34' ' ' HIS . 71.6 mt -34.19 104.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 45.8 t -59.65 130.33 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.053 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -41.48 143.84 0.83 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.9 p -98.7 -10.53 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.929 0.395 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 86.4 m -111.51 163.98 13.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.178 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.466 ' N ' ' CG2' ' A' ' 67' ' ' THR . 29.8 mmtt -126.94 143.34 51.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.14 -152.17 10.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -108.2 126.42 52.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 110.796 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.617 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 69.1 m-70 -44.58 132.61 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 29.6 p-10 -89.46 105.68 17.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t -77.1 4.18 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -128.72 126.26 39.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.486 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 2.1 mmmp? . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.1 ptp . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.863 0.363 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.08 102.15 9.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 10.9 mt -83.33 138.09 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tp -79.94 119.43 22.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.8 t -68.2 145.43 54.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' ASN . 73.1 m-85 -125.52 37.19 4.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.471 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 83.8 m-20 -107.7 124.96 50.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -45.63 119.33 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.48 -18.85 32.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 t -108.67 -71.15 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.72 18.55 0.69 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.562 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -108.05 169.53 8.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.857 0.36 . . . . 0.0 110.812 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -78.65 171.04 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.635 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 47.0 p90 -170.16 168.5 8.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 30.2 m-20 -113.41 124.98 30.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.62 0.724 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -37.83 8.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.611 2.207 . . . . 0.0 112.374 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -53.9 -16.68 1.95 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -127.04 -25.28 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -40.01 127.64 2.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.82 -170.23 2.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 0.7 OUTLIER -81.78 -0.81 44.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -135.83 33.29 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.85 -14.15 10.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.564 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 51.0 t -116.93 131.58 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -119.28 98.6 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.471 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 27.4 p90 -125.71 -175.75 3.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.568 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.4 m-70 -117.51 106.79 45.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.488 0.661 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.44 2.75 Favored 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.665 2.243 . . . . 0.0 112.364 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.36 -149.61 22.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.95 155.17 76.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.661 0.743 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.432 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.2 Cg_endo -69.82 122.01 8.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -122.85 131.63 72.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.43 95.72 4.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.418 ' NE2' ' HD2' ' A' ' 53' ' ' ARG . 3.4 p80 -122.78 131.53 53.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 55.31 36.22 26.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 74.68 5.6 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.455 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 10.5 mt -98.68 101.54 12.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -92.97 117.02 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.68 -147.54 4.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.432 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 30.3 m95 -138.0 145.81 42.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.68 0.276 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.7 p -76.42 6.82 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.3 p -91.42 -39.85 11.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 p -122.75 175.51 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.402 ' HB2' ' NZ ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -86.81 -22.12 26.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.463 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 10.6 tpt180 -44.64 135.63 4.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.455 ' CG ' ' HB3' ' A' ' 44' ' ' LEU . 2.3 tpp85 -151.42 129.29 11.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 60' ' ' PHE . 14.4 t -129.05 162.32 27.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -109.85 -6.57 15.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 59' ' ' ASP . 2.7 m-20 -100.12 114.66 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -43.62 -41.48 4.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.5 t -64.51 -32.93 74.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' ASP . 34.9 m-20 -73.14 -40.08 65.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.455 ' N ' HG22 ' A' ' 54' ' ' THR . 1.2 t80 -52.76 -35.8 56.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.38 -10.98 58.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.1 t -90.48 -33.44 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.463 ' CG2' ' HG2' ' A' ' 52' ' ' ARG . 88.3 mt -36.61 104.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' GLY . 1.4 p -61.91 130.16 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -38.3 144.18 0.23 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.5 p -99.02 -17.37 18.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.449 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 88.4 m -103.74 163.07 12.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.449 ' N ' ' CG2' ' A' ' 67' ' ' THR . 30.5 mmtt -126.36 141.34 51.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.29 -153.81 11.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -103.66 131.38 50.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.635 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 68.3 m-70 -51.46 135.41 27.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.45 ' ND2' ' OD1' ' A' ' 14' ' ' ASN . 19.7 m-20 -91.76 102.79 15.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.7 t -71.18 -2.89 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.418 ' N ' ' CD ' ' A' ' 74' ' ' GLU . 9.0 mp0 -124.67 151.99 44.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.928 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.79 0.328 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.0 98.85 6.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.0 mt -79.29 142.76 35.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -85.92 118.88 25.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.2 t -71.6 137.78 48.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.448 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 93.8 m-85 -118.28 31.65 6.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.545 ' ND2' ' H ' ' A' ' 72' ' ' ASN . 86.0 m-20 -100.5 125.54 46.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -45.52 122.53 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.23 -25.22 24.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.62 -71.07 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.27 18.39 0.86 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -111.9 161.18 16.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -71.06 172.5 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.629 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 41.6 p90 -170.26 165.94 8.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.467 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 26.8 m-20 -112.72 125.82 29.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.661 0.743 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.28 7.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -53.21 -15.77 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.9 -27.43 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 -179.885 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 27' ' ' SER . 61.1 t-20 -36.07 136.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.422 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 4.6 m -142.59 179.34 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.44 -3.82 32.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -134.51 36.76 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.76 -14.52 8.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.483 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.2 t -117.13 122.23 43.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -111.1 97.17 6.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.144 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.458 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 27.4 p90 -123.54 -175.75 3.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.568 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.9 m-70 -117.15 106.29 47.51 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.535 0.683 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.83 -147.5 20.84 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.541 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.1 155.19 76.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.688 0.756 . . . . 0.0 111.091 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.3 Cg_endo -69.77 121.25 7.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.75 2.3 . . . . 0.0 112.262 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -118.3 151.9 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.414 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -136.68 96.03 3.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.467 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 12.2 p80 -122.18 130.43 53.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 54.74 38.54 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 72.28 -0.07 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.434 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 7.6 mt -93.18 103.54 15.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -87.02 120.38 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.74 -148.07 4.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.426 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 55.9 m95 -141.19 150.03 42.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.8 t -80.0 12.2 2.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 p -99.12 -41.27 7.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.0 p -124.67 -178.56 4.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' ARG . 11.8 mtmt -89.44 -27.92 20.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.447 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 8.2 tpm_? -35.36 133.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.467 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.1 tpp180 -151.33 128.75 11.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.406 HG21 ' N ' ' A' ' 60' ' ' PHE . 14.7 t -138.68 150.35 46.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.3 p -93.95 -28.51 15.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' SER . 15.0 t0 -69.88 101.58 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' ASP . 81.4 t80 -35.82 -31.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 56' ' ' ASP . 98.7 p -72.44 -53.25 12.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -56.21 -33.49 65.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.45 ' CE2' HD21 ' A' ' 61' ' ' LEU . 2.4 t80 -60.6 -38.69 85.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.799 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.45 HD21 ' CE2' ' A' ' 60' ' ' PHE . 2.0 mt -81.66 -7.63 59.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.4 t -96.99 -29.8 13.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.447 ' CG2' ' HG2' ' A' ' 52' ' ' ARG . 71.1 mt -34.04 104.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.3 p -57.18 134.99 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.084 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -45.52 145.02 2.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 p -98.26 -12.62 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 93.4 m -109.78 163.09 13.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.469 ' N ' ' CG2' ' A' ' 67' ' ' THR . 37.7 mmtt -126.09 143.55 51.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.9 -154.32 13.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -104.69 130.94 52.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.323 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.629 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 78.5 m-70 -47.42 134.39 11.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.545 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 7.3 m-20 -89.74 108.34 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.1 p -82.47 10.44 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -121.69 144.54 48.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.448 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 41.9 mtmt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.64 100.34 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.3 mt -81.21 138.42 35.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.465 HD11 ' N ' ' A' ' 12' ' ' CYS . 2.3 tp -79.85 121.67 25.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.465 ' N ' HD11 ' A' ' 11' ' ' LEU . 38.2 t -73.45 139.05 45.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.441 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 66.2 m-85 -122.09 40.63 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.505 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 83.9 m-20 -109.11 120.38 42.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -41.42 118.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.3 -11.66 39.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 t -117.46 -71.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.378 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.75 18.67 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.414 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -106.88 166.9 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 mmt-85 -76.34 173.89 10.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.644 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 29.9 p90 -172.75 165.15 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.467 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 3.5 m-20 -112.33 125.21 30.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.552 0.691 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -37.34 9.22 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.719 2.279 . . . . 0.0 112.293 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.24 -18.18 3.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -124.63 -20.4 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.495 ' OD1' ' NE ' ' A' ' 70' ' ' ARG . 21.2 t-20 -34.21 146.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.402 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -148.48 165.07 32.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.89 -1.27 9.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 29' ' ' ASP . 43.8 p30 -136.37 26.21 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.797 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.49 -13.74 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.3 t -117.2 126.7 53.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.35 99.32 7.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.505 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 27.7 p90 -124.62 -175.77 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.532 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.7 m-70 -116.78 106.8 47.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 2.83 3.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.95 -147.56 20.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.03 155.23 76.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.509 0.671 . . . . 0.0 111.199 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.78 121.59 8.27 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -118.83 152.1 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.421 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.64 96.12 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.509 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 9.4 p80 -122.25 130.26 53.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.97 39.96 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 69.14 7.0 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 10.4 mt -100.05 101.82 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -84.16 120.56 26.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.1 -148.3 4.71 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.425 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 54.6 m95 -141.71 149.6 40.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.772 0.32 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.6 p -79.79 11.91 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.9 p -98.79 -43.78 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.3 p -121.1 -178.38 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -91.18 -22.46 20.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' CG ' HG12 ' A' ' 63' ' ' ILE . 17.5 tpt180 -40.93 134.13 2.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.509 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.4 tpp180 -150.85 128.71 11.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 60' ' ' PHE . 13.3 t -138.4 143.56 39.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.199 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.9 p -86.67 -27.91 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -73.57 106.28 5.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -40.86 -33.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -67.41 -47.37 70.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -61.67 -42.37 98.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.537 ' CE2' HD21 ' A' ' 61' ' ' LEU . 1.9 t80 -52.67 -40.25 62.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.537 HD21 ' CE2' ' A' ' 60' ' ' PHE . 14.2 mt -79.13 -7.3 58.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.6 t -99.98 -27.91 13.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.458 HG12 ' CG ' ' A' ' 52' ' ' ARG . 61.6 mt -34.12 102.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -55.54 128.83 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.532 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -39.87 144.32 0.42 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.7 p -98.63 -14.16 20.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 90.3 m -107.59 165.26 11.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.478 ' N ' ' CG2' ' A' ' 67' ' ' THR . 23.1 mmtt -127.0 140.57 52.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.85 -156.74 16.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.495 ' NE ' ' OD1' ' A' ' 26' ' ' ASN . 27.0 mtp180 -104.1 133.09 49.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.644 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 84.4 m-70 -49.12 134.86 17.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.499 ' ND2' ' OD1' ' A' ' 14' ' ' ASN . 33.2 m-20 -91.58 107.89 19.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.8 p -80.73 9.97 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -131.51 134.91 46.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.441 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 6.9 mtpm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 ptp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.865 0.364 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.96 99.56 7.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.2 mt -80.39 137.66 36.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.455 HD11 ' N ' ' A' ' 12' ' ' CYS . 2.7 tp -79.75 126.59 31.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' N ' HD11 ' A' ' 11' ' ' LEU . 11.0 t -74.95 142.83 43.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' ASN . 74.1 m-85 -122.28 35.37 4.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.458 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 82.1 m-20 -107.17 125.69 51.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -47.06 126.32 8.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.65 -19.63 49.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -109.01 -70.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.36 17.99 0.81 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -105.43 167.99 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.319 . . . . 0.0 110.952 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 mmt-85 -76.6 174.5 10.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.668 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 42.4 p90 -172.57 163.36 5.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' ASN . 5.7 m-20 -104.4 128.2 27.49 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.667 0.746 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -44.1 2.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.732 2.288 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -13.26 45.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -119.89 -17.01 8.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 27' ' ' SER . 28.3 t-20 -46.29 141.19 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.484 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 73.8 m -145.44 169.32 18.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -69.46 -7.37 37.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -131.63 35.41 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.41 -14.31 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.8 t -117.09 130.22 56.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.41 ' CG2' ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -118.1 99.37 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.458 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 34.5 p90 -125.27 -175.79 3.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.964 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.511 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.6 m-70 -117.03 108.22 44.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.77 3.25 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.736 2.291 . . . . 0.0 112.304 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.67 -149.66 21.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.73 155.15 76.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.74 . . . . 0.0 111.131 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.84 114.33 3.68 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.38 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.441 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -113.13 153.59 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.441 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.55 95.92 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.552 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.3 129.25 51.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 54.84 42.22 31.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 67.45 6.28 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 9.7 mt -98.98 98.77 9.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -84.53 116.73 23.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.21 -151.44 5.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.426 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 64.6 m95 -135.1 149.69 50.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.733 0.301 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.3 t -79.75 11.74 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 p -99.26 -50.36 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 p -112.5 176.13 5.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -88.06 -18.0 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.463 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 8.2 tpt180 -45.25 139.35 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.552 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 11.5 tpp180 -153.65 143.02 21.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.445 HG21 ' N ' ' A' ' 60' ' ' PHE . 12.3 t -153.71 150.39 28.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 p -97.08 -25.26 15.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 59' ' ' ASP . 25.6 t0 -75.0 100.98 4.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.773 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.531 ' CE2' HD11 ' A' ' 61' ' ' LEU . 43.6 t80 -35.54 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 56' ' ' ASP . 47.5 t -67.49 -47.32 70.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 56' ' ' ASP . 37.4 m-20 -63.82 -40.99 97.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.445 ' N ' HG21 ' A' ' 54' ' ' THR . 7.8 t80 -52.79 -45.73 67.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.531 HD11 ' CE2' ' A' ' 57' ' ' PHE . 12.6 mt -73.83 -16.58 61.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -88.1 -33.88 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.463 ' CG2' ' HG2' ' A' ' 52' ' ' ARG . 91.6 mt -34.03 98.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.2 148.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.511 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -53.4 144.13 25.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.529 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.4 p -98.92 -16.81 18.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 89.5 m -105.83 164.03 12.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.472 ' N ' ' CG2' ' A' ' 67' ' ' THR . 16.2 mmtp -125.69 144.44 50.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.78 -154.26 13.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.0 mtm105 -105.43 128.31 53.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.668 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 71.8 m-70 -47.1 137.82 7.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.448 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 27.8 m-20 -93.99 104.7 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.7 p -74.36 1.9 10.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -126.36 146.53 50.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.777 0.323 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.88 107.0 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' A' ' 21' ' ' PHE . 7.3 mt -90.2 142.57 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tp -79.85 120.64 24.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.7 t -70.17 146.31 50.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' ASN . 52.2 m-85 -125.61 43.18 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.498 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 87.4 m-20 -117.72 123.09 45.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -41.84 121.91 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.3 -14.71 51.14 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' GLN . 1.3 t -115.01 -70.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.813 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.13 22.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' CYS . 0.8 OUTLIER -114.55 162.63 16.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.3 . . . . 0.0 110.97 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mmm-85 -64.2 172.41 2.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 71' ' ' HIS . 40.4 p90 -172.7 166.27 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.466 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 1.2 m-20 -109.19 119.7 47.79 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -38.11 8.05 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.64 2.227 . . . . 0.0 112.327 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -51.69 -17.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.72 -27.45 3.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' THR . 54.4 t-20 -35.25 125.05 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.4 m -135.51 173.41 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -7.52 7.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -130.69 36.04 3.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.4 -14.54 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.554 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 40.6 t -117.21 129.56 56.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.11 103.65 11.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.095 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 47.6 p90 -131.33 -175.83 3.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.515 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.4 m-70 -117.42 110.21 41.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.668 0.747 . . . . 0.0 110.816 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 1.72 4.22 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.617 2.211 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.86 -149.52 22.45 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.454 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.24 155.09 76.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.735 0.779 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.6 Cg_endo -69.72 114.05 3.57 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.469 HG21 ' N ' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -113.6 146.5 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.469 ' N ' HG21 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -129.32 95.95 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.55 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.5 p80 -122.5 130.1 52.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 54.08 40.85 32.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 68.94 1.49 3.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 6.1 mt -95.31 96.51 9.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -82.59 116.53 22.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.51 -151.66 5.48 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.445 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.412 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 67.2 m95 -134.76 149.86 50.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.737 0.303 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.7 p -79.88 12.08 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.2 p -101.01 -49.83 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -112.14 -178.41 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.29 -19.78 21.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.451 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 13.4 tpt180 -42.26 136.5 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.55 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.1 tpp180 -153.57 131.36 11.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.437 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.3 t -139.44 149.8 44.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.2 p -92.87 -24.53 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -79.01 108.78 12.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.531 ' CE2' HD13 ' A' ' 61' ' ' LEU . 78.1 t80 -43.23 -30.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 p -70.13 -43.9 70.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.61 -39.84 84.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.538 ' CE2' HD22 ' A' ' 61' ' ' LEU . 2.3 t80 -52.7 -42.26 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.538 HD22 ' CE2' ' A' ' 60' ' ' PHE . 32.0 mt -76.07 -20.99 57.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.1 t -82.15 -29.96 31.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.451 ' CG2' ' HG2' ' A' ' 52' ' ' ARG . 82.0 mt -35.31 102.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.5 p -60.15 138.65 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.515 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.05 143.52 4.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.6 p -98.75 -13.8 20.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 86.2 m -109.53 164.78 12.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.477 ' N ' ' CG2' ' A' ' 67' ' ' THR . 13.6 mmtp -126.31 143.51 51.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.3 -152.9 10.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.46 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -108.4 129.2 55.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 70.5 m-70 -46.49 130.45 11.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 13' ' ' TYR . 9.9 m-20 -85.81 99.03 11.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.0 t -73.97 2.43 8.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 75' ' ' LYS . 98.6 mt-10 -139.87 121.19 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.453 ' O ' ' CD ' ' A' ' 23' ' ' PRO . 8.2 ptp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.821 0.343 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.67 96.46 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.493 ' O ' ' CD1' ' A' ' 21' ' ' PHE . 12.1 mt -79.78 138.04 37.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.2 tp -79.77 122.82 27.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.457 ' N ' HD12 ' A' ' 11' ' ' LEU . 22.7 t -73.37 145.98 45.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -125.41 33.23 5.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.468 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 85.1 m-20 -100.27 129.93 46.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -50.2 116.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.93 -15.06 37.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.35 -70.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.958 0.408 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.87 19.08 0.47 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -107.92 167.01 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -75.88 172.74 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 38.1 p90 -172.28 164.1 5.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.8 OUTLIER -107.43 128.59 25.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 0.0 110.862 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.453 ' CD ' ' O ' ' A' ' 8' ' ' MET . 53.5 Cg_endo -69.79 -43.62 2.53 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -62.58 -12.08 20.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 p -122.61 -18.99 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 22' ' ' ASP . 64.0 t-20 -50.16 137.43 17.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.433 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 6.1 m -143.4 -175.32 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.78 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -78.04 -5.44 51.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -133.09 35.27 3.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.76 -14.56 9.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 32.4 t -116.96 131.23 57.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -117.87 100.09 7.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.468 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 31.6 p90 -127.32 -175.79 3.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.546 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.0 m-70 -117.62 106.85 45.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.88 3.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.351 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.0 -148.1 20.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.34 155.89 75.46 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.568 0.699 . . . . 0.0 111.123 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.76 104.93 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.27 . . . . 0.0 112.319 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -101.77 145.17 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.111 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -137.15 94.79 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.46 ' CE1' HH11 ' A' ' 53' ' ' ARG . 8.5 p80 -123.27 134.43 54.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.807 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.4 OUTLIER 52.72 44.18 30.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 66.78 2.81 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 mt -96.36 98.22 10.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 10.7 mtmm -93.24 128.12 39.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.48 ' C ' ' CD1' ' A' ' 47' ' ' TRP . . . -158.08 -122.52 0.69 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.501 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.48 ' CD1' ' C ' ' A' ' 46' ' ' GLY . 68.5 m95 -158.2 146.71 18.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.9 t -79.53 10.92 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 p -99.55 -38.69 8.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 p -129.13 172.05 11.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -79.16 5.56 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.468 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -60.55 118.33 6.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.46 HH11 ' CE1' ' A' ' 41' ' ' HIS . 0.3 OUTLIER -154.19 124.2 6.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.8 t -128.73 161.48 29.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.7 p -97.28 5.77 49.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.12 138.27 49.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -71.35 -49.17 45.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -60.27 -31.02 69.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.803 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -75.7 -33.5 60.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -52.77 -39.85 62.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.95 -23.08 59.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -69.49 -29.84 67.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 52' ' ' ARG . 71.1 mt -42.11 129.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.462 ' O ' ' CE1' ' A' ' 34' ' ' HIS . 38.8 t -98.54 146.01 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.546 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.02 137.37 7.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.531 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.4 p -97.73 -10.89 24.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.942 0.401 . . . . 0.0 110.919 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 91.4 m -108.8 165.06 11.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.488 ' N ' ' CG2' ' A' ' 67' ' ' THR . 15.9 mmtp -125.66 141.88 51.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.16 -149.09 7.57 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -108.68 128.25 54.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.575 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 83.0 m-70 -49.39 141.39 9.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' ND2' ' OD1' ' A' ' 14' ' ' ASN . 60.3 m-20 -99.16 108.11 20.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 p -81.75 9.37 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -122.71 122.83 39.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.2 mttt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.7 ptp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.735 0.302 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.47 102.66 7.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.7 mt -81.7 143.13 32.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 12' ' ' CYS . 1.8 tp -83.91 122.52 28.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.447 ' N ' HD12 ' A' ' 11' ' ' LEU . 41.9 t -74.78 133.45 41.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.575 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 89.9 m-85 -114.45 27.15 9.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 86.0 m-20 -95.36 123.32 38.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' NH2' ' HG3' ' A' ' 38' ' ' PRO . 14.8 mtp180 -44.39 125.42 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.55 -3.34 57.71 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.79 -72.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.79 20.25 1.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.35 166.36 11.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.723 0.297 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -75.88 173.59 10.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.649 ' CB ' ' CD2' ' A' ' 71' ' ' HIS . 35.9 p90 -172.81 164.4 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.455 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 94.4 m-20 -111.96 126.0 29.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -30.95 21.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.35 -13.4 38.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.6 -25.27 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 25' ' ' THR . 57.4 t-20 -34.15 136.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.418 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 7.0 m -145.32 171.99 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -1.52 8.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -137.44 39.19 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.67 -12.92 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.061 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 t -117.2 125.61 51.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.8 95.86 5.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.171 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.48 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 28.1 p90 -124.41 -175.05 3.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.463 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.7 m-70 -120.5 107.5 38.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.596 0.712 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 3.19 2.9 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.62 -148.06 20.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.475 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.24 156.21 75.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.682 0.753 . . . . 0.0 111.116 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.417 ' HG3' ' NH2' ' A' ' 15' ' ' ARG . 53.8 Cg_endo -69.71 116.44 4.56 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.665 2.243 . . . . 0.0 112.304 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -112.39 151.85 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.79 95.88 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.492 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 12.6 p80 -122.42 130.52 53.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 54.74 38.74 30.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 71.74 1.33 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.442 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 9.7 mt -94.26 99.67 11.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 14.1 mttp -84.3 118.93 24.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.22 -146.47 4.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -139.76 147.4 40.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.718 0.294 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -79.45 11.29 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.7 p -97.16 -41.25 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -122.48 -177.07 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -93.3 -18.37 22.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.823 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.413 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 15.1 tpt180 -45.61 135.5 6.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.492 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.0 tpp180 -153.03 131.01 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.459 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.4 t -134.87 149.37 50.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.412 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . 18.5 p -93.55 -17.5 23.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -87.39 114.95 24.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -46.79 -42.6 17.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -46.09 89.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -65.0 -40.14 94.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.48 ' CE2' HD21 ' A' ' 61' ' ' LEU . 4.8 t80 -49.24 -44.62 43.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.48 HD21 ' CE2' ' A' ' 60' ' ' PHE . 6.7 mt -77.07 -11.33 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.6 t -90.26 -30.49 17.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 62' ' ' SER . 79.2 mt -34.08 100.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.3 p -56.37 134.63 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.463 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -41.21 143.88 0.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.461 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.1 p -99.06 -18.35 17.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 62.8 m -106.0 163.74 12.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.442 ' N ' ' CG2' ' A' ' 67' ' ' THR . 22.8 mmtt -126.41 140.36 52.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.5 -149.19 7.71 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -106.92 133.95 50.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.649 ' CD2' ' CB ' ' A' ' 21' ' ' PHE . 97.3 m-70 -46.34 173.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.467 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . 0.9 OUTLIER -128.95 106.18 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.4 t -82.18 3.89 25.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.47 155.3 39.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.575 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 ptp . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.856 0.36 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.12 102.84 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 10.0 mt -82.71 137.54 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.46 HD13 ' N ' ' A' ' 12' ' ' CYS . 3.3 tp -79.88 119.77 23.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.46 ' N ' HD13 ' A' ' 11' ' ' LEU . 8.4 t -68.04 144.49 55.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' ASN . 70.8 m-85 -124.1 36.85 4.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.496 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 85.8 m-20 -106.11 128.1 53.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.81 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -48.62 117.47 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.74 -23.14 22.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 t -103.17 -71.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.19 19.8 0.71 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -108.14 167.49 9.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.916 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -76.84 170.97 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.658 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 43.8 p90 -170.31 166.84 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.461 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 13.0 m-20 -113.37 125.34 29.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.63 10.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.668 2.246 . . . . 0.0 112.309 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -14.83 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -127.39 -26.89 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.143 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' THR . 62.2 t-20 -34.34 135.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.407 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 33.9 m -142.67 179.82 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -74.45 -4.56 37.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -135.47 39.82 2.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.3 -14.5 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 35.4 t -117.22 128.88 55.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.42 HG21 ' C ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -115.59 106.68 14.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.168 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.496 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 23.0 p90 -135.57 -175.75 4.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.573 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.3 m-70 -117.38 106.17 47.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.524 0.678 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.61 3.06 2.92 Favored 'Trans proline' 0 C--O 1.23 0.087 0 C-N-CA 122.727 2.285 . . . . 0.0 112.356 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.52 -161.43 24.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.24 155.7 61.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.622 0.725 . . . . 0.0 111.123 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.472 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.7 Cg_endo -69.83 123.11 9.76 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.408 HG12 ' NH2' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -125.0 148.71 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.41 95.44 3.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.779 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.501 ' NE2' ' NH2' ' A' ' 53' ' ' ARG . 4.3 p80 -122.99 135.9 54.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.9 OUTLIER 52.47 44.66 29.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 68.39 0.63 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.416 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 15.2 mt -94.04 113.03 24.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -104.36 119.56 39.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.428 ' HA3' ' NH1' ' A' ' 53' ' ' ARG . . . -155.26 -146.48 4.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.472 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 49.3 m95 -136.29 147.57 47.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.848 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -69.45 -0.7 6.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.7 p -89.53 -36.42 15.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.3 p -128.08 176.3 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 52' ' ' ARG . 14.4 mmtt -93.5 -26.72 17.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 51' ' ' LYS . 18.8 tpp180 -33.89 139.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.501 ' NH2' ' NE2' ' A' ' 41' ' ' HIS . 14.9 mmt-85 -152.74 149.48 28.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 t -152.3 126.22 9.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -66.22 -11.09 47.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -92.41 129.5 38.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -65.93 -35.72 81.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 t -66.89 -54.14 25.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -56.51 -36.57 69.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -51.6 -50.45 60.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.78 -0.03 12.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -100.98 -27.86 13.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' SER . 55.0 mt -35.18 115.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.1 t -65.99 129.4 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -39.34 143.83 0.36 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.527 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.5 p -100.52 -12.65 19.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 70.9 m -107.34 165.47 11.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.466 ' N ' ' CG2' ' A' ' 67' ' ' THR . 4.4 mmtm -130.59 140.59 50.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.84 -152.23 9.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -105.68 127.55 53.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.658 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 69.4 m-70 -46.95 133.89 10.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 13' ' ' TYR . 19.6 m-20 -92.17 106.22 18.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.0 t -77.87 5.76 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -130.35 133.42 46.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.821 0.344 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.47 97.73 6.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.0 mt -80.61 139.3 36.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.45 HD11 ' N ' ' A' ' 12' ' ' CYS . 2.0 tp -79.8 122.63 26.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.45 ' N ' HD11 ' A' ' 11' ' ' LEU . 25.4 t -73.45 146.95 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.467 ' CD1' ' CD ' ' A' ' 75' ' ' LYS . 54.9 m-85 -127.08 37.14 4.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 84.7 m-20 -108.02 125.46 51.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.4 mtt-85 -44.2 125.37 4.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.19 -17.84 56.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -110.28 -71.99 0.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.87 19.56 0.35 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -108.09 168.79 9.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.969 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -74.8 173.76 10.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.563 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 36.2 p90 -172.76 163.68 5.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.468 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 50.9 m-20 -111.03 124.63 32.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.732 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -33.26 17.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.34 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.12 -10.7 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -129.71 -29.87 2.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 25' ' ' THR . 61.9 t-20 -37.23 138.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.84 -177.32 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.496 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 2.1 t70 -75.54 6.32 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.416 ' HA ' ' HB3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -150.54 26.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.04 -9.46 20.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.571 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 34.9 t -117.67 127.42 53.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -110.35 108.77 18.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.461 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 40.2 p90 -135.28 -175.67 4.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.546 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 91.0 m-70 -117.3 108.51 43.58 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.717 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.9 3.1 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.7 2.266 . . . . 0.0 112.372 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.99 -151.53 22.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.82 155.1 78.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.688 0.756 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.4 Cg_endo -69.79 117.7 5.24 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.691 2.26 . . . . 0.0 112.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -117.13 154.0 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.4 m-85 -136.82 95.73 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.549 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.91 131.5 53.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 53.35 40.96 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 66.94 10.53 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.456 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 9.5 mt -102.82 94.97 5.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 11.2 mttp -81.28 119.94 24.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.74 -149.75 5.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.467 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 47.8 m95 -137.65 148.45 45.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.787 0.327 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.6 t -79.46 10.55 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.422 ' SG ' ' CB ' ' A' ' 47' ' ' TRP . 3.6 p -95.45 -46.93 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 1.8 p -115.47 179.3 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -93.32 -6.11 48.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -57.93 135.44 56.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.549 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -153.48 129.89 10.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.0 t -130.48 145.58 51.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.437 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . 9.7 p -83.82 -23.35 31.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.74 153.56 32.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 5.8 t80 -83.41 -30.42 27.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t -73.6 -48.65 31.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.7 -42.15 74.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -47.44 -46.8 26.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.7 mt -73.18 -15.71 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.1 t -85.14 -33.58 22.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 62' ' ' SER . 97.7 mt -34.19 99.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 65' ' ' GLY . 3.4 p -60.82 135.75 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.546 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -39.88 141.5 0.71 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.446 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 29.1 p -95.86 -16.42 21.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 91.8 m -110.47 165.54 11.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.468 ' N ' ' CG2' ' A' ' 67' ' ' THR . 12.9 mmtp -128.43 144.58 51.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 28' ' ' ASP . . . -175.2 -146.86 5.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.497 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 33.4 mtt180 -109.54 133.1 53.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 31' ' ' CYS . 83.1 m-70 -54.55 134.23 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.444 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 10.4 m-20 -93.38 106.19 18.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.1 p -76.87 4.69 9.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -130.12 131.14 45.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.467 ' CD ' ' CD1' ' A' ' 13' ' ' TYR . 3.3 mmmm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 p -52.88 116.93 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.823 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -165.58 135.96 3.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.05 82.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -138.07 134.78 35.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 0.0 110.877 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -124.29 178.31 5.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.6 31.21 0.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.441 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.442 ' O ' ' CD ' ' A' ' 23' ' ' PRO . 4.3 ptp -130.07 6.81 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.55 99.49 7.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.9 mt -81.02 139.28 35.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.2 tp -79.91 124.7 28.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.462 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.8 t -72.69 144.17 47.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.498 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 60.4 m-85 -123.8 38.36 4.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.499 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 82.7 m-20 -109.28 127.78 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 -49.12 121.53 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.2 -22.76 30.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -105.11 -71.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.54 17.68 0.8 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -104.12 167.91 9.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 -77.25 173.96 11.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.678 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 44.0 p90 -172.71 165.55 5.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -107.29 128.85 25.2 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.536 0.684 . . . . 0.0 110.917 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.442 ' CD ' ' O ' ' A' ' 8' ' ' MET . 54.3 Cg_endo -69.76 -43.66 2.53 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.631 2.221 . . . . 0.0 112.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -8.21 17.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -124.59 -20.18 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' ASP . 62.4 t-20 -47.0 141.72 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.451 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 41.0 m -145.93 163.27 35.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -7.59 5.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -131.49 37.31 3.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.87 -16.24 8.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 43.4 t -114.73 129.52 56.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER -117.74 99.82 7.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.499 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 22.5 p90 -126.82 -175.83 3.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.98 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.565 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.8 m-70 -116.79 105.24 50.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.671 0.748 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.22 2.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.368 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.66 -147.75 21.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.509 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.81 155.13 76.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 111.144 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 54.3 Cg_endo -69.76 121.75 8.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.655 2.237 . . . . 0.0 112.422 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.425 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.24 152.74 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.051 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.425 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -136.81 95.84 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.501 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 11.0 p80 -122.39 130.43 53.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 54.58 40.47 31.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 68.02 8.51 6.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.443 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 9.4 mt -101.43 99.07 9.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 12.6 mttp -82.22 121.1 26.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.54 -147.68 4.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.435 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 49.5 m95 -141.7 148.68 39.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.715 0.293 . . . . 0.0 110.978 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -79.19 11.23 2.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 p -96.51 -44.0 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 1.8 p -119.97 178.9 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -92.23 -8.67 44.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 6.6 tpm_? -54.64 137.95 42.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.501 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.9 tpp180 -153.67 129.28 10.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 60' ' ' PHE . 15.0 t -134.22 154.82 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.422 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . 72.5 p -101.48 -15.23 17.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 58' ' ' SER . 4.9 t70 -85.23 103.63 14.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' ASP . 53.5 t80 -36.91 -29.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 56' ' ' ASP . 5.6 t -72.63 -50.45 25.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 56' ' ' ASP . 19.6 m-20 -57.81 -40.79 80.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.465 ' N ' HG22 ' A' ' 54' ' ' THR . 8.8 t80 -51.17 -47.79 62.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.823 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.7 mt -75.82 -5.24 44.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -100.52 -31.23 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 62' ' ' SER . 83.4 mt -34.26 105.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 p -59.83 137.57 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.96 145.07 4.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.543 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.412 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 28.6 p -98.27 -10.95 23.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.482 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 90.7 m -110.38 164.53 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.482 ' N ' ' CG2' ' A' ' 67' ' ' THR . 36.7 mmtt -127.49 142.19 51.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.32 -155.22 13.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -104.62 123.09 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.678 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 68.1 m-70 -40.75 136.21 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.488 ' ND2' ' OD1' ' A' ' 14' ' ' ASN . 33.2 m-20 -90.81 108.75 20.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.3 p -79.71 8.69 6.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -136.15 144.52 45.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.498 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 25.1 mtmt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 p -159.27 122.38 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.9 p -148.55 172.35 14.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.12 160.41 9.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -109.6 137.93 46.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.816 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -109.78 143.7 39.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.09 15.76 6.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.448 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 ptp -106.97 6.58 29.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.14 101.17 6.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 14.4 mt -82.48 140.6 33.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.2 tp -79.79 125.68 30.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' N ' HD12 ' A' ' 11' ' ' LEU . 12.3 t -80.28 133.63 36.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -113.35 32.2 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 87.7 m-20 -99.15 122.88 42.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.6 mtm-85 -43.66 127.96 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.77 -19.36 54.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.25 -71.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.37 18.01 0.82 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -110.84 161.34 15.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -70.76 175.74 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.601 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 34.0 p90 -172.75 166.06 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 26' ' ' ASN . 1.5 m-20 -108.45 127.65 27.09 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.565 0.698 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -44.13 2.23 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.317 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.78 -12.63 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -120.62 -20.9 6.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' ASP . 64.4 t-20 -45.8 137.02 5.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -141.25 164.55 29.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -7.69 5.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.796 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -132.18 38.32 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.35 -15.51 7.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.6 t -114.14 125.6 54.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.0 100.55 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.157 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.461 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 34.5 p90 -126.91 -175.77 3.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.57 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.1 m-70 -116.77 106.51 47.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.803 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 2.92 3.07 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.295 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.72 -148.11 20.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.413 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.16 155.23 76.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.584 0.706 . . . . 0.0 111.129 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 54.0 Cg_endo -69.74 120.63 7.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.266 . . . . 0.0 112.279 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -117.9 152.34 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.068 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.423 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.87 95.99 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.533 ' NE2' ' CZ ' ' A' ' 53' ' ' ARG . 10.3 p80 -122.35 130.67 53.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 54.79 40.57 32.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 68.35 7.63 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.452 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 12.3 mt -100.75 101.46 12.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -84.41 120.43 26.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.27 -147.96 4.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.436 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 51.6 m95 -142.0 149.28 39.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.775 0.321 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.4 t -79.65 11.79 2.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 p -97.56 -41.54 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 p -123.92 179.71 4.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -88.83 -23.63 22.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.4 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 4.3 tpm_? -40.62 136.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.533 ' CZ ' ' NE2' ' A' ' 41' ' ' HIS . 11.2 tpp180 -153.76 136.91 15.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' A' ' 59' ' ' ASP . 12.9 t -146.81 154.32 41.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.1 p -96.36 -30.15 13.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 59' ' ' ASP . 13.2 m-20 -69.84 104.4 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -41.38 -29.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -71.25 -40.71 70.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.459 ' HB3' ' CG2' ' A' ' 54' ' ' THR . 24.6 t70 -67.42 -43.25 81.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.26 -34.98 25.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mt -81.4 -17.67 48.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -86.83 -32.45 20.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 62' ' ' SER . 94.8 mt -33.99 102.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.1 t -61.08 136.22 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -44.35 143.7 2.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.2 p -98.41 -9.34 25.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 85.3 m -112.78 164.07 13.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.199 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.469 ' N ' ' CG2' ' A' ' 67' ' ' THR . 11.1 mmtp -126.25 143.87 50.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.59 -152.45 10.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -109.46 124.03 50.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.601 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 68.9 m-70 -42.6 142.62 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.817 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -102.12 108.23 19.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.8 t -79.84 8.1 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -132.81 132.01 41.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -104.11 98.07 7.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.844 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -107.95 6.02 26.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.44 -150.27 6.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.541 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -59.81 148.22 35.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.931 0.396 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -101.61 176.34 5.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.0 40.91 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.8 ptp -117.89 8.75 12.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.13 96.89 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.7 mt -79.28 140.17 37.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 tp -81.88 123.64 29.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.8 t -75.96 137.46 40.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -118.37 34.74 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.509 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 86.4 m-20 -104.3 122.66 45.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -43.75 125.88 4.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.59 -18.32 53.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.3 -71.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.904 0.383 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.08 18.63 0.84 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -109.37 161.4 15.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.769 0.319 . . . . 0.0 110.938 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -71.57 175.66 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.682 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 35.2 p90 -172.68 164.73 5.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.461 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 0.9 OUTLIER -111.29 125.61 30.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 0.0 110.877 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -39.74 6.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -51.43 -17.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.38 -25.74 3.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' THR . 7.6 t-20 -34.5 140.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.0 m -149.09 169.57 20.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.41 -4.78 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -132.22 35.69 3.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.89 -14.69 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.6 t -117.2 126.48 52.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -115.06 101.93 9.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.07 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.509 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 21.1 p90 -127.91 -175.77 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.565 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.1 m-70 -117.32 105.1 49.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 3.25 2.9 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.27 -147.33 20.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.16 155.22 76.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.422 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.76 121.99 8.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.306 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.57 151.92 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 179.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.49 95.96 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.512 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 9.6 p80 -122.27 130.21 52.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.3 OUTLIER 55.27 39.31 31.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 69.36 7.38 6.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 9.6 mt -100.35 100.54 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -82.97 119.6 24.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.17 -148.36 4.73 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.422 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 56.4 m95 -141.33 149.75 41.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -80.2 12.68 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 p -98.86 -45.42 6.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.408 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 2.4 p -119.4 -176.68 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -92.58 -21.78 19.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -41.91 134.52 2.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.512 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.2 tpp180 -151.46 124.69 8.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 60' ' ' PHE . 7.5 t -135.5 145.0 46.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -90.12 -26.27 20.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 58' ' ' SER . 48.1 t0 -70.94 100.77 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ASP . 47.1 t80 -36.52 -30.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 56' ' ' ASP . 8.5 t -71.47 -48.33 49.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' ASP . 45.7 m-20 -61.43 -39.59 91.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.529 ' CE2' HD23 ' A' ' 61' ' ' LEU . 4.9 t80 -54.39 -40.05 67.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.773 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.529 HD23 ' CE2' ' A' ' 60' ' ' PHE . 37.3 mt -81.86 -3.06 53.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 t -104.36 -28.57 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 62' ' ' SER . 68.6 mt -34.05 106.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.181 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.75 133.62 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -45.19 145.61 2.38 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.408 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 28.3 p -98.2 -15.21 19.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 98.5 m -106.86 162.76 13.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.098 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.476 ' N ' ' CG2' ' A' ' 67' ' ' THR . 11.2 mmtp -126.27 143.1 51.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.33 -154.85 13.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -104.13 127.64 51.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.765 0.317 . . . . 0.0 110.945 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.682 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 85.7 m-70 -43.68 135.39 3.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.496 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 12.9 m-20 -87.94 101.75 14.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 p -75.51 0.17 18.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -124.89 156.3 38.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -42.08 110.51 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.891 0.377 . . . . 0.0 110.809 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 p -157.53 108.53 2.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.811 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.8 -111.35 0.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 p -135.2 178.04 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 110.917 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 p -56.55 147.74 21.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.97 16.57 6.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 ptp -108.95 6.74 25.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.773 0.32 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.93 98.53 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.7 mt -79.3 143.57 35.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.5 tp -83.87 124.48 31.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' N ' HD12 ' A' ' 11' ' ' LEU . 20.2 t -76.63 141.52 41.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -121.73 35.85 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.506 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 85.8 m-20 -105.75 123.64 48.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -43.17 125.91 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.77 -16.91 58.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -109.18 -71.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.4 19.42 0.44 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -109.04 168.32 9.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 mmt-85 -76.55 174.27 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.598 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 41.0 p90 -172.74 166.07 5.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -108.29 128.28 25.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.563 0.697 . . . . 0.0 110.925 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -43.78 2.47 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.724 2.283 . . . . 0.0 112.357 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -61.99 -10.5 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 p -125.28 -18.41 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' ASP . 40.6 t-20 -56.52 137.78 52.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.453 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -142.1 -170.23 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -82.47 -0.94 48.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -135.91 32.03 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.02 -13.58 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.538 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 43.6 t -117.18 124.82 50.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.75 97.5 6.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.506 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 27.8 p90 -124.01 -175.67 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.568 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.1 m-70 -116.88 106.43 47.82 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 3.41 2.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.61 -147.99 20.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.99 155.22 76.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 111.175 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.448 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 54.1 Cg_endo -69.77 122.5 9.17 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.708 2.272 . . . . 0.0 112.377 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.83 152.18 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.428 ' N ' HG22 ' A' ' 39' ' ' VAL . 1.1 m-85 -135.94 95.5 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.51 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 8.8 p80 -122.78 130.85 53.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.7 m-20 54.71 39.93 31.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.24 11.14 8.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 12.0 mt -103.99 98.78 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -80.82 121.22 25.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.6 -148.37 4.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.47 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.448 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 48.3 m95 -142.15 148.86 38.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 t -78.79 10.35 3.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.79 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 p -96.12 -46.98 6.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 1.6 p -117.25 -179.05 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -93.41 -11.98 30.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -51.73 131.45 30.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.51 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -147.86 126.6 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 60' ' ' PHE . 12.3 t -132.37 151.88 51.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.416 ' CG2' HD22 ' A' ' 44' ' ' LEU . 81.1 p -98.11 -12.81 21.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -91.83 108.57 20.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.551 ' CZ ' HD13 ' A' ' 61' ' ' LEU . 44.8 t80 -40.62 -46.53 2.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.0 t -55.75 -42.69 75.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -70.17 -41.81 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.467 ' CE2' HD22 ' A' ' 61' ' ' LEU . 2.6 t80 -49.93 -43.07 49.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.551 HD13 ' CZ ' ' A' ' 57' ' ' PHE . 8.6 mt -77.83 -11.46 59.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.2 t -91.99 -28.71 17.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 62' ' ' SER . 64.2 mt -34.0 104.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.1 p -58.73 130.66 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -41.75 144.15 0.88 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.446 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 29.2 p -98.5 -9.39 25.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.931 0.396 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 86.2 m -112.9 163.75 14.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.463 ' N ' ' CG2' ' A' ' 67' ' ' THR . 14.2 mmtp -126.98 142.51 51.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.47 -152.95 10.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.7 mtt-85 -105.91 129.35 54.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.598 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 77.0 m-70 -48.02 136.12 11.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.486 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 16.2 m-20 -90.75 106.51 18.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.7 p -76.39 2.33 13.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -128.16 150.74 49.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.0 mttt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 p -127.51 -176.15 3.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -146.46 166.15 27.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.64 115.37 4.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.541 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -104.7 -40.81 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.842 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 m -49.72 -49.6 47.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.12 17.09 80.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.6 ptp -91.43 6.55 45.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.52 100.84 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 15.6 mt -79.96 141.68 35.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.443 HD13 ' N ' ' A' ' 12' ' ' CYS . 3.8 tp -83.92 127.24 33.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' N ' HD13 ' A' ' 11' ' ' LEU . 10.3 t -79.56 143.08 35.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.524 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 91.3 m-85 -123.35 31.51 5.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.471 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 85.5 m-20 -96.99 128.77 44.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.418 ' HB3' ' CH2' ' A' ' 47' ' ' TRP . 32.7 mtp85 -50.67 112.81 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.33 -9.31 28.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.6 t -116.47 -70.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.99 19.58 0.58 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -108.03 164.52 12.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 110.968 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.3 mmt-85 -75.79 173.45 11.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.669 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 43.0 p90 -172.19 166.9 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -108.74 128.11 26.14 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.656 0.741 . . . . 0.0 110.86 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -43.96 2.4 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -10.08 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 p -123.91 -19.59 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 27' ' ' SER . 58.4 t-20 -44.27 140.26 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.466 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 6.4 m -145.38 173.43 12.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.36 -7.13 45.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -132.31 37.01 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.7 -15.59 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.547 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 33.5 t -117.19 129.98 56.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 65' ' ' GLY . 1.6 m -117.13 104.17 10.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.471 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 32.9 p90 -130.89 -175.81 3.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.553 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.8 m-70 -117.51 108.01 43.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -2.42 10.16 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.98 -148.4 24.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.571 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.23 155.14 76.0 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.704 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 108.96 2.19 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.306 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.432 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -106.98 153.31 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.432 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -136.92 96.12 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.549 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.28 130.85 53.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.66 41.67 32.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 67.8 6.53 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.029 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.455 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 8.4 mt -99.25 93.37 5.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.975 0.417 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 11.8 mttp -80.25 117.21 20.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.98 -148.64 4.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.435 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.418 ' CH2' ' HB3' ' A' ' 15' ' ' ARG . 68.5 m95 -134.19 152.5 51.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.5 p -83.62 9.88 10.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.6 p -95.98 -50.73 4.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.6 p -112.78 -176.47 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -93.35 -16.86 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -44.21 133.73 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.549 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.8 tpp180 -153.12 138.22 17.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.802 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 60' ' ' PHE . 3.1 t -142.86 148.85 37.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.442 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . 4.4 p -89.87 -19.09 25.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -81.18 124.44 29.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -56.29 -30.86 63.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.5 t -73.41 -60.52 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -46.37 -37.7 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.487 ' CE2' HD22 ' A' ' 61' ' ' LEU . 4.0 t80 -50.49 -40.96 52.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.487 HD22 ' CE2' ' A' ' 60' ' ' PHE . 7.8 mt -78.17 -12.67 60.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -87.21 -31.02 20.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 62' ' ' SER . 79.4 mt -33.99 102.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.27 138.1 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.553 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -47.4 143.41 5.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.3 p -99.26 -20.75 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 87.4 m -101.08 163.28 12.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.458 ' N ' ' CG2' ' A' ' 67' ' ' THR . 6.5 mmtm -126.31 144.89 50.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.67 -149.54 8.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -109.61 127.76 54.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.669 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 66.5 m-70 -47.1 139.32 5.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -96.64 103.37 15.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.5 p -75.01 3.38 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -116.33 151.61 35.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.524 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 p -143.73 160.33 40.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.827 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 m -152.85 113.95 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.46 -156.06 10.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 p -142.74 156.07 44.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.915 0.388 . . . . 0.0 110.787 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.7 m -116.59 178.81 4.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.8 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.09 26.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.545 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 ptp -105.68 12.05 31.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.88 98.34 9.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 10.4 mt -79.3 138.79 37.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 12' ' ' CYS . 4.8 tp -79.68 125.04 29.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' N ' HD13 ' A' ' 11' ' ' LEU . 16.8 t -77.42 140.77 39.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -120.97 33.26 5.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.456 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 85.5 m-20 -102.77 125.93 49.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -46.06 123.64 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.64 -21.21 39.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.6 -70.97 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.38 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.29 18.85 0.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -110.06 164.61 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -73.13 171.88 12.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.604 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 44.8 p90 -170.33 165.72 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -108.24 128.2 26.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.61 0.719 . . . . 0.0 110.818 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -43.77 2.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -60.62 -11.71 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -125.16 -19.68 5.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . 37.4 t-20 -54.36 132.11 43.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.45 -170.06 2.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -82.09 -1.46 48.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -135.09 32.11 3.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.17 -12.78 10.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 47.4 t -117.2 125.62 51.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' A' ' 65' ' ' GLY . 1.1 m -113.8 96.54 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.456 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 39.4 p90 -123.58 -175.8 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.498 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.7 m-70 -117.58 108.98 42.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.594 0.711 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.4 3.56 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.744 2.296 . . . . 0.0 112.326 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.56 -149.94 23.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.95 155.14 76.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 111.114 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.456 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.82 117.14 4.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -116.28 154.2 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 m-85 -136.78 95.98 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.55 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.45 130.46 53.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 53.77 41.89 31.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 67.55 6.72 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 9.5 mt -99.65 99.26 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -84.71 117.7 23.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.75 -150.79 5.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.456 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 64.6 m95 -135.67 149.95 49.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.302 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.0 t -79.88 12.1 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.6 p -99.21 -50.61 4.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.9 p -114.09 179.96 3.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -89.65 -20.97 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.467 ' CG ' HG12 ' A' ' 63' ' ' ILE . 18.7 tpp180 -41.78 130.12 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.55 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -146.95 136.8 23.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 60' ' ' PHE . 10.7 t -148.44 146.24 28.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.7 p -90.25 -27.26 19.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 59' ' ' ASP . 7.0 t0 -71.56 104.5 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -41.09 -35.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -67.23 -40.76 86.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -68.3 -41.77 80.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.454 ' N ' HG22 ' A' ' 54' ' ' THR . 1.3 t80 -52.3 -36.36 52.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.1 mt -79.57 -18.5 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.3 t -86.21 -30.88 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.467 HG12 ' CG ' ' A' ' 52' ' ' ARG . 80.9 mt -34.04 101.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.217 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.9 p -58.87 139.29 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.069 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.498 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -47.16 143.91 5.31 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.441 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 p -99.04 -14.17 19.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 91.0 m -108.44 163.97 12.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' N ' ' CG2' ' A' ' 67' ' ' THR . 31.7 mmtt -127.35 142.15 51.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.6 -154.63 13.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.1 mtm105 -103.71 127.91 51.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.604 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 63.7 m-70 -47.51 140.99 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.437 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 20.0 m-20 -96.83 108.68 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.6 p -83.25 16.14 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -136.32 133.67 37.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.9 mttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -171.75 144.74 1.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -143.1 168.52 19.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.07 -117.15 5.53 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -78.91 123.0 26.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.869 0.366 . . . . 0.0 110.894 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -108.25 -64.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.32 -25.58 0.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.42 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.9 ptp -86.59 8.26 22.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.5 101.54 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.054 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.8 mt -80.92 136.04 35.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 12' ' ' CYS . 1.5 tp -79.79 122.13 26.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.464 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.7 t -78.27 134.07 37.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.405 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 94.3 m-85 -111.76 11.5 20.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.492 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 87.3 m-20 -77.5 126.37 30.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.817 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -47.87 130.42 14.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.04 -17.96 57.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -108.27 -71.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.949 0.404 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.19 17.9 1.15 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.549 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -109.19 169.82 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -80.86 173.57 12.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.815 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.671 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 37.3 p90 -171.71 163.99 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.466 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 15.6 m-20 -111.28 126.36 28.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -38.43 7.84 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.46 -16.45 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.59 -25.67 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' THR . 9.5 t-20 -34.26 138.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.405 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 5.0 m -144.46 174.59 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.5 -3.2 23.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -134.73 36.45 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.82 -13.56 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.0 t -117.22 123.66 47.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.19 96.2 5.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.476 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 38.3 p90 -123.24 -175.68 3.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.521 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.5 m-70 -117.69 108.41 43.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.59 0.709 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.55 3.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.342 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.97 -150.08 23.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.98 155.13 76.43 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.68 0.752 . . . . 0.0 111.07 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.6 Cg_endo -69.79 117.72 5.25 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -117.48 153.96 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.447 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 m-85 -136.73 96.13 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.551 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.41 128.89 51.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 55.11 41.67 31.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 67.71 6.01 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 8.1 mt -98.94 97.67 8.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -83.25 117.61 23.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.98 -151.73 5.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.416 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 65.5 m95 -134.79 150.09 50.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.787 0.327 . . . . 0.0 110.984 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.4 t -80.3 13.06 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.1 p -100.21 -49.36 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 p -115.54 -178.32 3.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' ARG . 10.6 mtmt -89.32 -26.87 20.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.45 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 2.3 tpm_? -35.03 135.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.937 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.551 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -153.72 128.2 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.0 t -139.31 140.35 37.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.5 p -83.98 -27.83 28.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -70.75 104.68 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -42.45 -28.32 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -72.3 -47.44 49.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.82 -40.67 97.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.546 ' CE2' HD22 ' A' ' 61' ' ' LEU . 2.4 t80 -50.09 -38.32 38.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.546 HD22 ' CE2' ' A' ' 60' ' ' PHE . 47.6 mt -79.37 -18.54 52.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 t -86.17 -30.44 22.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.45 ' CG2' ' HG2' ' A' ' 52' ' ' ARG . 90.9 mt -35.36 101.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.183 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.13 147.12 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.521 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -54.42 143.57 30.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.502 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.5 p -98.71 -10.94 22.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 86.0 m -111.99 164.04 13.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.095 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.462 ' N ' ' CG2' ' A' ' 67' ' ' THR . 34.4 mmtt -127.03 143.17 51.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.91 -154.63 13.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -103.5 127.99 50.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.671 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 79.1 m-70 -47.87 133.81 13.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 29.2 p-10 -89.74 104.99 17.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.8 p -79.02 6.67 8.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -113.7 147.37 38.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -99.25 73.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.371 . . . . 0.0 110.796 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -99.4 175.32 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.77 -65.6 0.45 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.561 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 t 46.53 49.84 13.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.911 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 p -90.0 150.1 22.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.31 17.32 2.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.4 ptp -100.57 9.24 42.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.732 0.301 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.99 101.51 8.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 14.2 mt -81.79 138.98 35.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.5 tp -79.73 122.19 26.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.463 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.3 t -71.09 145.14 50.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 60.0 m-85 -126.53 37.22 4.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.506 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 85.9 m-20 -108.52 122.56 47.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -43.92 120.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.97 -16.25 36.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.514 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 t -113.29 -71.14 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.897 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.2 18.03 0.77 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -105.89 168.68 8.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.948 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -77.3 170.33 16.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.633 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 44.9 p90 -170.21 165.19 9.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.74 128.52 25.38 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.547 0.689 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.92 2.36 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.64 2.227 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.63 -15.12 6.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.26 -25.37 6.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.176 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 27' ' ' SER . 53.2 t-20 -37.4 139.66 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 6.9 m -144.75 170.08 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -69.1 -7.98 41.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.3 p30 -132.89 35.18 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.42 -14.91 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.055 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.553 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 44.4 t -117.2 132.15 56.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.816 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -119.18 99.99 7.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.506 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 29.7 p90 -127.37 -175.85 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.496 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.7 m-70 -117.06 107.35 45.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 2.95 3.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.59 -150.0 24.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.24 155.08 77.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.689 0.757 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.76 119.16 6.15 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.674 2.249 . . . . 0.0 112.367 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -119.29 153.62 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.028 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.438 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.78 95.98 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.552 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.38 130.05 52.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 54.19 42.08 31.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 67.53 6.6 5.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.455 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 8.1 mt -99.34 98.89 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -84.97 116.72 23.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.97 -150.92 5.29 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.525 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.42 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 63.7 m95 -135.2 149.84 49.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.8 t -79.72 11.83 2.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 p -97.68 -51.37 4.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.8 p -113.79 -176.05 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 52' ' ' ARG . 13.4 mtpp -90.73 -28.04 18.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' LYS . 16.3 tpp180 -34.44 133.84 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.552 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.6 tpp180 -153.11 125.37 8.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 60' ' ' PHE . 13.1 t -132.13 150.03 52.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.9 p -92.16 -29.53 16.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' SER . 68.3 m-20 -71.95 105.93 4.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -39.18 -28.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' ASP . 2.4 t -71.94 -53.12 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.19 -42.25 69.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.449 ' N ' HG23 ' A' ' 54' ' ' THR . 2.9 t80 -51.06 -37.92 48.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.426 HD22 ' CE2' ' A' ' 60' ' ' PHE . 30.1 mt -81.02 -14.5 57.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.4 t -91.45 -31.67 15.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 62' ' ' SER . 90.4 mt -34.11 101.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.73 140.26 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.496 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -47.24 145.55 4.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.8 p -99.48 -18.56 17.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.942 0.401 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.491 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 95.4 m -103.99 164.67 11.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' N ' ' CG2' ' A' ' 67' ' ' THR . 15.9 mmtp -127.13 143.74 51.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.44 -154.68 13.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -104.39 126.02 51.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.387 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.633 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 61.4 m-70 -44.12 134.68 4.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 13' ' ' TYR . 12.4 m-20 -90.34 108.51 19.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -81.92 6.6 15.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -133.2 127.34 33.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.57 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 20.2 mmtt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 m -119.8 -7.41 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -53.2 140.35 26.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.11 -79.39 0.28 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -126.57 148.94 49.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -58.27 -59.15 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.69 3.15 90.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.429 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 ptp -122.31 15.37 10.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.2 95.84 10.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 9.7 mt -79.72 139.25 37.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.8 tp -79.99 123.54 27.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.442 ' N ' HD12 ' A' ' 11' ' ' LEU . 28.3 t -79.5 138.55 37.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.556 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 94.5 m-85 -119.48 35.22 4.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.479 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 89.3 m-20 -96.92 157.44 15.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HB3' ' CZ3' ' A' ' 47' ' ' TRP . 6.2 mmt85 -69.51 115.33 8.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.42 -30.8 9.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -89.12 -72.34 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.14 19.32 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -114.19 170.34 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 110.959 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 mmt-85 -73.85 175.09 7.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 34.2 p90 -172.81 165.55 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.459 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 1.1 m-20 -111.59 122.51 37.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.721 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -39.13 6.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 0.0 112.427 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -50.78 -17.94 0.64 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -127.06 -26.39 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -39.67 130.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.52 -170.56 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -81.78 -1.07 45.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -136.33 34.81 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.59 -12.31 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.49 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 41.0 t -117.19 123.31 46.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.5 100.33 9.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.479 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 50.1 p90 -127.58 -175.63 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.469 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 92.2 m-70 -119.55 113.34 34.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.596 0.712 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 3.17 2.95 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.78 -149.77 16.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.538 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.86 155.02 76.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.435 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.9 Cg_endo -69.75 106.82 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.329 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -103.42 154.34 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.457 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.4 m-85 -136.77 95.7 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.55 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.75 131.13 53.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 53.49 41.52 32.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 66.93 9.36 6.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.455 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 10.5 mt -101.67 95.0 6.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -80.74 117.58 21.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.52 -150.9 5.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.435 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 54.9 m95 -134.82 146.69 49.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.738 0.304 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.5 t -78.32 9.54 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 p -97.3 -48.01 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.7 p -113.29 -179.18 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -93.4 -15.05 26.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -48.95 132.49 18.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.55 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 11.4 tpp180 -149.22 135.53 19.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 60' ' ' PHE . 15.2 t -141.68 154.86 45.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 47.3 p -99.8 -24.48 14.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' PHE . 32.1 t0 -75.78 101.72 5.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' ASP . 6.2 t80 -37.19 -40.74 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 m -64.58 -49.2 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -60.4 -39.81 88.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.464 ' N ' HG23 ' A' ' 54' ' ' THR . 2.0 t80 -52.39 -44.28 65.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.5 mt -71.9 -11.58 60.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.3 t -89.2 -31.43 17.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 62' ' ' SER . 88.5 mt -34.07 100.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.16 137.63 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.469 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -42.8 142.76 1.57 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.9 p -99.07 -12.77 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.0 m -111.77 161.48 16.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -123.18 147.14 47.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.2 -152.36 12.04 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.377 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -107.75 130.27 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.736 0.303 . . . . 0.0 110.9 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.618 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 76.9 m-70 -46.88 136.01 8.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.421 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 16.9 m-20 -92.02 108.77 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 p -81.37 6.09 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -106.8 127.2 53.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.556 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 36.8 mttm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -130.09 178.7 6.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -153.36 150.68 29.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.92 -179.33 34.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 p -132.82 129.35 38.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.446 ' HB3' ' CE ' ' A' ' 8' ' ' MET . 0.7 OUTLIER -139.55 165.87 26.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.86 27.37 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.565 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.446 ' CE ' ' HB3' ' A' ' 6' ' ' SER . 0.0 OUTLIER -76.06 6.54 5.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 110.927 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.06 100.58 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 15.3 mt -79.33 142.28 36.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.46 HD11 ' N ' ' A' ' 12' ' ' CYS . 2.1 tp -85.54 122.55 29.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.46 ' N ' HD11 ' A' ' 11' ' ' LEU . 8.0 t -77.93 126.9 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 93.2 m-85 -102.99 6.95 39.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.849 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.492 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 90.3 m-20 -73.51 131.57 41.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -53.7 131.26 38.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.89 -21.63 44.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.503 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.34 -71.59 0.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.829 0.347 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.04 16.38 1.87 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.03 169.99 8.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 mmt-85 -81.15 174.69 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.623 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 40.7 p90 -172.67 164.27 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 56.1 m-20 -111.76 126.18 28.98 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.633 0.73 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -35.47 12.55 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -13.2 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -128.19 -27.9 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 27' ' ' SER . 63.4 t-20 -34.04 139.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.477 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 5.8 m -142.06 -178.47 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -78.33 -5.85 53.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -134.46 36.61 3.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.23 -13.56 9.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.573 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.5 t -117.16 128.8 55.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.05 96.32 5.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.466 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 36.8 p90 -124.2 -175.75 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.532 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.3 m-70 -117.24 108.53 43.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 3.26 2.91 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.68 2.253 . . . . 0.0 112.366 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.82 -148.56 20.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.09 155.21 76.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 111.171 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.6 Cg_endo -69.72 117.79 5.29 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.718 2.279 . . . . 0.0 112.414 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.43 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -114.5 152.55 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.185 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.43 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -136.52 95.86 3.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.519 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 9.5 p80 -122.48 130.6 53.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 54.97 39.49 31.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 68.87 8.44 6.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.453 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 9.1 mt -101.26 100.08 10.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -82.63 119.98 24.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.97 -148.66 4.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.43 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 53.5 m95 -140.83 149.03 41.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.809 0.338 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -79.38 11.01 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.3 p -98.8 -43.42 6.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -120.97 179.57 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -91.24 -18.14 24.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CG ' HG12 ' A' ' 63' ' ' ILE . 11.9 tpt180 -46.16 125.25 6.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.519 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.3 tpp180 -142.31 127.67 18.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 60' ' ' PHE . 14.2 t -135.45 151.6 50.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.4 p -97.4 -23.24 16.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' ASP . 14.0 t0 -78.12 105.81 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.54 ' CZ ' HD13 ' A' ' 61' ' ' LEU . 19.6 t80 -40.14 -37.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -66.0 -39.44 90.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.788 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' ASP . 73.8 m-20 -71.4 -40.58 70.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.823 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.464 ' N ' HG22 ' A' ' 54' ' ' THR . 2.7 t80 -53.07 -42.94 66.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.54 HD13 ' CZ ' ' A' ' 57' ' ' PHE . 4.3 mt -75.62 -13.04 60.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 t -90.51 -28.13 18.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.796 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.457 HG12 ' CG ' ' A' ' 52' ' ' ARG . 73.5 mt -35.59 102.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.1 p -58.79 137.28 21.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.532 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.45 142.91 4.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.464 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.4 p -98.08 -10.89 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.496 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 95.6 m -111.78 164.75 12.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.496 ' N ' ' CG2' ' A' ' 67' ' ' THR . 9.0 mmtp -127.84 144.03 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.96 -154.98 15.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -103.49 126.86 50.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.623 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 73.2 m-70 -46.06 134.88 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 30.5 p-10 -90.88 110.12 21.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.2 t -82.19 18.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -142.25 128.46 19.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -108.64 161.17 15.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -80.68 133.85 35.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.67 70.06 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -102.72 -47.7 4.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -105.87 123.19 47.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.56 30.49 8.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.8 ptp -125.16 6.38 7.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.762 0.315 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.05 101.93 8.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.7 mt -82.25 135.84 35.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.4 tp -79.89 129.16 34.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' N ' HD12 ' A' ' 11' ' ' LEU . 13.6 t -85.74 138.05 32.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.486 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 96.5 m-85 -113.74 11.59 18.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.867 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 87.1 m-20 -77.2 125.36 29.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -45.6 128.42 8.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.78 -22.29 41.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.25 -71.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.908 0.385 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.22 19.38 0.64 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -112.94 171.34 7.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.0 mmt-85 -80.39 173.25 12.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.617 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 38.2 p90 -171.74 164.64 6.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -106.82 128.1 26.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -44.0 2.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -11.49 12.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 p -120.61 -23.73 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 27' ' ' SER . 55.5 t-20 -41.07 140.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.478 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 4.4 m -144.81 162.93 35.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -7.36 6.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 29' ' ' ASP . 48.6 p30 -133.44 38.89 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.27 -12.03 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.534 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 44.7 t -117.21 122.59 44.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.12 97.1 6.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.462 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 24.4 p90 -124.97 -175.73 3.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.572 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.1 m-70 -116.98 105.95 48.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.606 0.717 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 3.11 2.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.49 -147.43 20.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.95 155.26 76.4 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.62 0.724 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.419 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.4 Cg_endo -69.79 122.06 8.74 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.4 151.96 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.414 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -136.73 96.04 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.481 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 10.2 p80 -122.28 130.99 53.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 54.79 38.58 30.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 71.45 2.62 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 8.1 mt -95.98 104.18 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -86.75 119.95 27.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.43 -148.2 4.69 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.419 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 56.7 m95 -140.99 149.87 42.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.4 p -79.92 12.15 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 p -98.71 -44.07 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 p -120.27 -177.49 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -92.68 -21.28 20.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.455 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 26.0 tpt180 -42.35 136.39 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.481 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.9 tpp180 -152.35 137.73 17.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 60' ' ' PHE . 15.0 t -148.66 148.62 30.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.6 p -90.53 -29.44 17.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 59' ' ' ASP . 15.2 t0 -72.44 108.69 5.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.547 ' CZ ' HD12 ' A' ' 61' ' ' LEU . 24.5 t80 -43.28 -34.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.7 m -66.73 -37.68 85.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.441 ' CB ' HG23 ' A' ' 54' ' ' THR . 4.4 m-20 -69.74 -43.26 72.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.447 ' N ' HG23 ' A' ' 54' ' ' THR . 1.4 t80 -53.97 -32.77 54.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.547 HD12 ' CZ ' ' A' ' 57' ' ' PHE . 8.3 mt -85.03 -9.94 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.2 t -97.57 -29.51 13.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.467 HG22 ' CE1' ' A' ' 34' ' ' HIS . 71.6 mt -34.19 104.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 45.8 t -59.65 130.33 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.053 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.572 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -41.48 143.84 0.83 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.9 p -98.7 -10.53 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.929 0.395 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 86.4 m -111.51 163.98 13.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.178 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.466 ' N ' ' CG2' ' A' ' 67' ' ' THR . 29.8 mmtt -126.94 143.34 51.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.14 -152.17 10.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -108.2 126.42 52.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 110.796 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.617 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 69.1 m-70 -44.58 132.61 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 29.6 p-10 -89.46 105.68 17.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t -77.1 4.18 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -128.72 126.26 39.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.486 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 2.1 mmmp? . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -59.58 126.78 28.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.945 0.402 . . . . 0.0 110.914 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -55.4 166.8 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.63 -58.83 0.14 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 m -121.27 34.71 5.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.867 0.365 . . . . 0.0 110.766 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -78.45 102.6 7.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.33 35.96 4.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.417 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.1 ptp -120.02 6.83 10.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.08 102.15 9.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 10.9 mt -83.33 138.09 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tp -79.94 119.43 22.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.8 t -68.2 145.43 54.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' ASN . 73.1 m-85 -125.52 37.19 4.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.471 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 83.8 m-20 -107.7 124.96 50.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -45.63 119.33 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.48 -18.85 32.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 t -108.67 -71.15 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.72 18.55 0.69 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.562 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -108.05 169.53 8.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.857 0.36 . . . . 0.0 110.812 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -78.65 171.04 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.635 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 47.0 p90 -170.16 168.5 8.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 30.2 m-20 -113.41 124.98 30.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.62 0.724 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -37.83 8.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.611 2.207 . . . . 0.0 112.374 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -53.9 -16.68 1.95 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -127.04 -25.28 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -40.01 127.64 2.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.82 -170.23 2.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 0.7 OUTLIER -81.78 -0.81 44.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -135.83 33.29 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.85 -14.15 10.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.564 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 51.0 t -116.93 131.58 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -119.28 98.6 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.471 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 27.4 p90 -125.71 -175.75 3.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.568 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.4 m-70 -117.51 106.79 45.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.488 0.661 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.44 2.75 Favored 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.665 2.243 . . . . 0.0 112.364 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.36 -149.61 22.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.95 155.17 76.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.661 0.743 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.432 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.2 Cg_endo -69.82 122.01 8.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -122.85 131.63 72.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.43 95.72 4.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.418 ' NE2' ' HD2' ' A' ' 53' ' ' ARG . 3.4 p80 -122.78 131.53 53.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 55.31 36.22 26.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 74.68 5.6 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.455 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 10.5 mt -98.68 101.54 12.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -92.97 117.02 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.68 -147.54 4.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.432 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 30.3 m95 -138.0 145.81 42.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.68 0.276 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.7 p -76.42 6.82 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.3 p -91.42 -39.85 11.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 p -122.75 175.51 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.402 ' HB2' ' NZ ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -86.81 -22.12 26.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.463 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 10.6 tpt180 -44.64 135.63 4.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.455 ' CG ' ' HB3' ' A' ' 44' ' ' LEU . 2.3 tpp85 -151.42 129.29 11.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 60' ' ' PHE . 14.4 t -129.05 162.32 27.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -109.85 -6.57 15.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 59' ' ' ASP . 2.7 m-20 -100.12 114.66 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -43.62 -41.48 4.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.5 t -64.51 -32.93 74.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' ASP . 34.9 m-20 -73.14 -40.08 65.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.455 ' N ' HG22 ' A' ' 54' ' ' THR . 1.2 t80 -52.76 -35.8 56.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.38 -10.98 58.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.1 t -90.48 -33.44 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.463 ' CG2' ' HG2' ' A' ' 52' ' ' ARG . 88.3 mt -36.61 104.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' GLY . 1.4 p -61.91 130.16 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -38.3 144.18 0.23 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.5 p -99.02 -17.37 18.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.449 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 88.4 m -103.74 163.07 12.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.449 ' N ' ' CG2' ' A' ' 67' ' ' THR . 30.5 mmtt -126.36 141.34 51.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.29 -153.81 11.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -103.66 131.38 50.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.635 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 68.3 m-70 -51.46 135.41 27.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.45 ' ND2' ' OD1' ' A' ' 14' ' ' ASN . 19.7 m-20 -91.76 102.79 15.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.7 t -71.18 -2.89 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' N ' ' CD ' ' A' ' 74' ' ' GLU . 9.0 mp0 -124.67 151.99 44.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.928 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -66.16 179.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -130.08 147.86 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.26 -83.17 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -93.35 113.57 25.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.899 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.96 -16.39 10.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.5 -39.13 3.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.07 7.35 11.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.328 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.0 98.85 6.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.0 mt -79.29 142.76 35.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -85.92 118.88 25.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.2 t -71.6 137.78 48.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.448 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 93.8 m-85 -118.28 31.65 6.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.545 ' ND2' ' H ' ' A' ' 72' ' ' ASN . 86.0 m-20 -100.5 125.54 46.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -45.52 122.53 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.23 -25.22 24.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.62 -71.07 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.27 18.39 0.86 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -111.9 161.18 16.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -71.06 172.5 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.629 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 41.6 p90 -170.26 165.94 8.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.467 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 26.8 m-20 -112.72 125.82 29.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.661 0.743 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.28 7.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -53.21 -15.77 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.9 -27.43 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 -179.885 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 27' ' ' SER . 61.1 t-20 -36.07 136.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.422 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 4.6 m -142.59 179.34 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.44 -3.82 32.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -134.51 36.76 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.76 -14.52 8.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.483 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.2 t -117.13 122.23 43.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -111.1 97.17 6.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.144 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.458 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 27.4 p90 -123.54 -175.75 3.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.568 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.9 m-70 -117.15 106.29 47.51 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.535 0.683 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.83 -147.5 20.84 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.541 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.1 155.19 76.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.688 0.756 . . . . 0.0 111.091 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.3 Cg_endo -69.77 121.25 7.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.75 2.3 . . . . 0.0 112.262 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -118.3 151.9 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.414 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -136.68 96.03 3.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.467 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 12.2 p80 -122.18 130.43 53.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 54.74 38.54 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 72.28 -0.07 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.434 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 7.6 mt -93.18 103.54 15.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -87.02 120.38 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.74 -148.07 4.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.426 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 55.9 m95 -141.19 150.03 42.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.8 t -80.0 12.2 2.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 p -99.12 -41.27 7.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.0 p -124.67 -178.56 4.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' ARG . 11.8 mtmt -89.44 -27.92 20.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 8.2 tpm_? -35.36 133.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.467 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.1 tpp180 -151.33 128.75 11.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.406 HG21 ' N ' ' A' ' 60' ' ' PHE . 14.7 t -138.68 150.35 46.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.3 p -93.95 -28.51 15.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' SER . 15.0 t0 -69.88 101.58 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' ASP . 81.4 t80 -35.82 -31.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 56' ' ' ASP . 98.7 p -72.44 -53.25 12.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -56.21 -33.49 65.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.45 ' CE2' HD21 ' A' ' 61' ' ' LEU . 2.4 t80 -60.6 -38.69 85.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.799 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.45 HD21 ' CE2' ' A' ' 60' ' ' PHE . 2.0 mt -81.66 -7.63 59.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.4 t -96.99 -29.8 13.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.447 ' CG2' ' HG2' ' A' ' 52' ' ' ARG . 71.1 mt -34.04 104.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.3 p -57.18 134.99 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.084 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -45.52 145.02 2.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 p -98.26 -12.62 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 93.4 m -109.78 163.09 13.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.469 ' N ' ' CG2' ' A' ' 67' ' ' THR . 37.7 mmtt -126.09 143.55 51.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.9 -154.32 13.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -104.69 130.94 52.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.323 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.629 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 78.5 m-70 -47.42 134.39 11.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.545 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 7.3 m-20 -89.74 108.34 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.1 p -82.47 10.44 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -121.69 144.54 48.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.448 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 41.9 mtmt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -114.1 158.46 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.9 p -172.44 148.01 1.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.1 156.09 24.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 p -77.32 115.46 17.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.952 0.406 . . . . 0.0 110.81 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 p -109.78 149.34 29.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.83 -2.43 4.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.41 7.96 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.64 100.34 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.3 mt -81.21 138.42 35.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.465 HD11 ' N ' ' A' ' 12' ' ' CYS . 2.3 tp -79.85 121.67 25.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.465 ' N ' HD11 ' A' ' 11' ' ' LEU . 38.2 t -73.45 139.05 45.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.441 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 66.2 m-85 -122.09 40.63 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.505 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 83.9 m-20 -109.11 120.38 42.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -41.42 118.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.3 -11.66 39.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 t -117.46 -71.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.378 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.75 18.67 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.414 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -106.88 166.9 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 mmt-85 -76.34 173.89 10.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.644 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 29.9 p90 -172.75 165.15 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.467 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 3.5 m-20 -112.33 125.21 30.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.552 0.691 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -37.34 9.22 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.719 2.279 . . . . 0.0 112.293 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.24 -18.18 3.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -124.63 -20.4 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.495 ' OD1' ' NE ' ' A' ' 70' ' ' ARG . 21.2 t-20 -34.21 146.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.402 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -148.48 165.07 32.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.89 -1.27 9.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 29' ' ' ASP . 43.8 p30 -136.37 26.21 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.797 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.49 -13.74 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.3 t -117.2 126.7 53.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.35 99.32 7.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.505 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 27.7 p90 -124.62 -175.77 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.532 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.7 m-70 -116.78 106.8 47.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 2.83 3.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.95 -147.56 20.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.03 155.23 76.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.509 0.671 . . . . 0.0 111.199 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.78 121.59 8.27 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -118.83 152.1 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.421 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.64 96.12 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.509 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 9.4 p80 -122.25 130.26 53.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.97 39.96 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 69.14 7.0 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.448 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 10.4 mt -100.05 101.82 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -84.16 120.56 26.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.1 -148.3 4.71 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.425 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 54.6 m95 -141.71 149.6 40.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.772 0.32 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.6 p -79.79 11.91 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.9 p -98.79 -43.78 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.3 p -121.1 -178.38 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -91.18 -22.46 20.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' CG ' HG12 ' A' ' 63' ' ' ILE . 17.5 tpt180 -40.93 134.13 2.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.509 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.4 tpp180 -150.85 128.71 11.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 60' ' ' PHE . 13.3 t -138.4 143.56 39.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.199 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.9 p -86.67 -27.91 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -73.57 106.28 5.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -40.86 -33.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -67.41 -47.37 70.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -61.67 -42.37 98.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.537 ' CE2' HD21 ' A' ' 61' ' ' LEU . 1.9 t80 -52.67 -40.25 62.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.537 HD21 ' CE2' ' A' ' 60' ' ' PHE . 14.2 mt -79.13 -7.3 58.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.6 t -99.98 -27.91 13.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.458 HG12 ' CG ' ' A' ' 52' ' ' ARG . 61.6 mt -34.12 102.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -55.54 128.83 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.532 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -39.87 144.32 0.42 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.7 p -98.63 -14.16 20.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 90.3 m -107.59 165.26 11.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.478 ' N ' ' CG2' ' A' ' 67' ' ' THR . 23.1 mmtt -127.0 140.57 52.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.85 -156.74 16.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.495 ' NE ' ' OD1' ' A' ' 26' ' ' ASN . 27.0 mtp180 -104.1 133.09 49.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.644 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 84.4 m-70 -49.12 134.86 17.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.499 ' ND2' ' OD1' ' A' ' 14' ' ' ASN . 33.2 m-20 -91.58 107.89 19.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.8 p -80.73 9.97 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -131.51 134.91 46.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.441 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 6.9 mtpm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -85.42 90.88 8.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.381 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -120.52 166.16 14.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.07 -30.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.517 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 t -103.91 75.15 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.777 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -60.58 -64.67 0.87 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.52 6.44 70.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.442 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 ptp -123.56 6.69 8.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.96 99.56 7.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.2 mt -80.39 137.66 36.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.455 HD11 ' N ' ' A' ' 12' ' ' CYS . 2.7 tp -79.75 126.59 31.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' N ' HD11 ' A' ' 11' ' ' LEU . 11.0 t -74.95 142.83 43.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' ASN . 74.1 m-85 -122.28 35.37 4.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.458 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 82.1 m-20 -107.17 125.69 51.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -47.06 126.32 8.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.65 -19.63 49.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -109.01 -70.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.36 17.99 0.81 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -105.43 167.99 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.319 . . . . 0.0 110.952 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 mmt-85 -76.6 174.5 10.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.668 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 42.4 p90 -172.57 163.36 5.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' ASN . 5.7 m-20 -104.4 128.2 27.49 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.667 0.746 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -44.1 2.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.732 2.288 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -13.26 45.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -119.89 -17.01 8.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 27' ' ' SER . 28.3 t-20 -46.29 141.19 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.484 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 73.8 m -145.44 169.32 18.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -69.46 -7.37 37.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -131.63 35.41 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.41 -14.31 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.8 t -117.09 130.22 56.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.41 ' CG2' ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -118.1 99.37 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.458 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 34.5 p90 -125.27 -175.79 3.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.964 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.511 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.6 m-70 -117.03 108.22 44.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.77 3.25 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.736 2.291 . . . . 0.0 112.304 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.67 -149.66 21.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.73 155.15 76.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.74 . . . . 0.0 111.131 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.84 114.33 3.68 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.38 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.441 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -113.13 153.59 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.441 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.55 95.92 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.552 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.3 129.25 51.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 54.84 42.22 31.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 67.45 6.28 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 9.7 mt -98.98 98.77 9.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -84.53 116.73 23.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.21 -151.44 5.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.426 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 64.6 m95 -135.1 149.69 50.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.733 0.301 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.3 t -79.75 11.74 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 p -99.26 -50.36 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 p -112.5 176.13 5.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -88.06 -18.0 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.463 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 8.2 tpt180 -45.25 139.35 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.552 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 11.5 tpp180 -153.65 143.02 21.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.445 HG21 ' N ' ' A' ' 60' ' ' PHE . 12.3 t -153.71 150.39 28.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 p -97.08 -25.26 15.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 59' ' ' ASP . 25.6 t0 -75.0 100.98 4.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.773 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.531 ' CE2' HD11 ' A' ' 61' ' ' LEU . 43.6 t80 -35.54 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 56' ' ' ASP . 47.5 t -67.49 -47.32 70.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 56' ' ' ASP . 37.4 m-20 -63.82 -40.99 97.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.445 ' N ' HG21 ' A' ' 54' ' ' THR . 7.8 t80 -52.79 -45.73 67.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.531 HD11 ' CE2' ' A' ' 57' ' ' PHE . 12.6 mt -73.83 -16.58 61.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -88.1 -33.88 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.463 ' CG2' ' HG2' ' A' ' 52' ' ' ARG . 91.6 mt -34.03 98.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.2 148.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.511 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -53.4 144.13 25.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.529 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.4 p -98.92 -16.81 18.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 89.5 m -105.83 164.03 12.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.472 ' N ' ' CG2' ' A' ' 67' ' ' THR . 16.2 mmtp -125.69 144.44 50.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.78 -154.26 13.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.0 mtm105 -105.43 128.31 53.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.668 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 71.8 m-70 -47.1 137.82 7.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.448 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 27.8 m-20 -93.99 104.7 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.7 p -74.36 1.9 10.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -126.36 146.53 50.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -115.94 68.45 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -101.16 -27.94 12.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.34 -126.59 2.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 p -122.38 124.41 43.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 110.833 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t -66.35 -53.28 38.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.64 -0.55 4.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.56 8.02 12.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.777 0.323 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.88 107.0 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' A' ' 21' ' ' PHE . 7.3 mt -90.2 142.57 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tp -79.85 120.64 24.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.7 t -70.17 146.31 50.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' ASN . 52.2 m-85 -125.61 43.18 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.498 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 87.4 m-20 -117.72 123.09 45.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -41.84 121.91 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.3 -14.71 51.14 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' GLN . 1.3 t -115.01 -70.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.813 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.13 22.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' CYS . 0.8 OUTLIER -114.55 162.63 16.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.3 . . . . 0.0 110.97 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mmm-85 -64.2 172.41 2.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 71' ' ' HIS . 40.4 p90 -172.7 166.27 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.466 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 1.2 m-20 -109.19 119.7 47.79 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -38.11 8.05 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.64 2.227 . . . . 0.0 112.327 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -51.69 -17.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.72 -27.45 3.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' THR . 54.4 t-20 -35.25 125.05 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.4 m -135.51 173.41 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -7.52 7.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -130.69 36.04 3.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.4 -14.54 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.554 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 40.6 t -117.21 129.56 56.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.11 103.65 11.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.095 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 47.6 p90 -131.33 -175.83 3.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.515 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.4 m-70 -117.42 110.21 41.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.668 0.747 . . . . 0.0 110.816 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 1.72 4.22 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.617 2.211 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.86 -149.52 22.45 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.454 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.24 155.09 76.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.735 0.779 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.6 Cg_endo -69.72 114.05 3.57 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.469 HG21 ' N ' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -113.6 146.5 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.469 ' N ' HG21 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -129.32 95.95 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.55 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.5 p80 -122.5 130.1 52.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 54.08 40.85 32.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 68.94 1.49 3.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 6.1 mt -95.31 96.51 9.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -82.59 116.53 22.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.51 -151.66 5.48 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.445 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.412 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 67.2 m95 -134.76 149.86 50.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.737 0.303 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.7 p -79.88 12.08 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.2 p -101.01 -49.83 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -112.14 -178.41 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.29 -19.78 21.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.451 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 13.4 tpt180 -42.26 136.5 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.55 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.1 tpp180 -153.57 131.36 11.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.437 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.3 t -139.44 149.8 44.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.2 p -92.87 -24.53 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -79.01 108.78 12.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.531 ' CE2' HD13 ' A' ' 61' ' ' LEU . 78.1 t80 -43.23 -30.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 p -70.13 -43.9 70.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.61 -39.84 84.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.538 ' CE2' HD22 ' A' ' 61' ' ' LEU . 2.3 t80 -52.7 -42.26 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.538 HD22 ' CE2' ' A' ' 60' ' ' PHE . 32.0 mt -76.07 -20.99 57.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.1 t -82.15 -29.96 31.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.451 ' CG2' ' HG2' ' A' ' 52' ' ' ARG . 82.0 mt -35.31 102.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.5 p -60.15 138.65 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.515 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.05 143.52 4.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.6 p -98.75 -13.8 20.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 86.2 m -109.53 164.78 12.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.477 ' N ' ' CG2' ' A' ' 67' ' ' THR . 13.6 mmtp -126.31 143.51 51.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.3 -152.9 10.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.46 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -108.4 129.2 55.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 70.5 m-70 -46.49 130.45 11.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 13' ' ' TYR . 9.9 m-20 -85.81 99.03 11.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.0 t -73.97 2.43 8.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 75' ' ' LYS . 98.6 mt-10 -139.87 121.19 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -148.42 139.3 23.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -172.21 150.95 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.52 117.63 1.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -91.73 95.44 9.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -103.13 142.69 33.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.41 26.23 8.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.453 ' O ' ' CD ' ' A' ' 23' ' ' PRO . 8.2 ptp -130.89 10.65 5.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.821 0.343 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.67 96.46 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.493 ' O ' ' CD1' ' A' ' 21' ' ' PHE . 12.1 mt -79.78 138.04 37.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.2 tp -79.77 122.82 27.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.457 ' N ' HD12 ' A' ' 11' ' ' LEU . 22.7 t -73.37 145.98 45.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -125.41 33.23 5.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.468 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 85.1 m-20 -100.27 129.93 46.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -50.2 116.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.93 -15.06 37.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.35 -70.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.958 0.408 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.87 19.08 0.47 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -107.92 167.01 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -75.88 172.74 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 38.1 p90 -172.28 164.1 5.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.8 OUTLIER -107.43 128.59 25.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 0.0 110.862 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.453 ' CD ' ' O ' ' A' ' 8' ' ' MET . 53.5 Cg_endo -69.79 -43.62 2.53 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -62.58 -12.08 20.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 p -122.61 -18.99 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 22' ' ' ASP . 64.0 t-20 -50.16 137.43 17.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.433 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 6.1 m -143.4 -175.32 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.78 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -78.04 -5.44 51.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -133.09 35.27 3.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.76 -14.56 9.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 32.4 t -116.96 131.23 57.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -117.87 100.09 7.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.468 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 31.6 p90 -127.32 -175.79 3.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.546 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.0 m-70 -117.62 106.85 45.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.88 3.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.351 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.0 -148.1 20.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.34 155.89 75.46 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.568 0.699 . . . . 0.0 111.123 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.76 104.93 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.27 . . . . 0.0 112.319 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -101.77 145.17 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.111 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -137.15 94.79 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.46 ' CE1' HH11 ' A' ' 53' ' ' ARG . 8.5 p80 -123.27 134.43 54.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.807 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.4 OUTLIER 52.72 44.18 30.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 66.78 2.81 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 mt -96.36 98.22 10.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 10.7 mtmm -93.24 128.12 39.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.48 ' C ' ' CD1' ' A' ' 47' ' ' TRP . . . -158.08 -122.52 0.69 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.501 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.48 ' CD1' ' C ' ' A' ' 46' ' ' GLY . 68.5 m95 -158.2 146.71 18.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.9 t -79.53 10.92 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 p -99.55 -38.69 8.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 p -129.13 172.05 11.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -79.16 5.56 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.468 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -60.55 118.33 6.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.46 HH11 ' CE1' ' A' ' 41' ' ' HIS . 0.3 OUTLIER -154.19 124.2 6.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.8 t -128.73 161.48 29.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.7 p -97.28 5.77 49.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.12 138.27 49.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -71.35 -49.17 45.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -60.27 -31.02 69.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.803 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -75.7 -33.5 60.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -52.77 -39.85 62.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.95 -23.08 59.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -69.49 -29.84 67.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 52' ' ' ARG . 71.1 mt -42.11 129.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.462 ' O ' ' CE1' ' A' ' 34' ' ' HIS . 38.8 t -98.54 146.01 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.546 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.02 137.37 7.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.531 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.4 p -97.73 -10.89 24.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.942 0.401 . . . . 0.0 110.919 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 91.4 m -108.8 165.06 11.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.488 ' N ' ' CG2' ' A' ' 67' ' ' THR . 15.9 mmtp -125.66 141.88 51.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.16 -149.09 7.57 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -108.68 128.25 54.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.575 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 83.0 m-70 -49.39 141.39 9.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' ND2' ' OD1' ' A' ' 14' ' ' ASN . 60.3 m-20 -99.16 108.11 20.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 p -81.75 9.37 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -122.71 122.83 39.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.2 mttt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -82.14 96.85 7.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.899 0.38 . . . . 0.0 110.845 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 t -128.66 170.37 13.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.774 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.57 2.56 8.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -85.17 54.71 3.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -69.26 175.69 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.32 27.08 12.04 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.439 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.7 ptp -101.68 6.51 41.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.735 0.302 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.47 102.66 7.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.7 mt -81.7 143.13 32.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 12' ' ' CYS . 1.8 tp -83.91 122.52 28.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.447 ' N ' HD12 ' A' ' 11' ' ' LEU . 41.9 t -74.78 133.45 41.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.575 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 89.9 m-85 -114.45 27.15 9.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 86.0 m-20 -95.36 123.32 38.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' NH2' ' HG3' ' A' ' 38' ' ' PRO . 14.8 mtp180 -44.39 125.42 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.55 -3.34 57.71 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.79 -72.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.79 20.25 1.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.35 166.36 11.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.723 0.297 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -75.88 173.59 10.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.649 ' CB ' ' CD2' ' A' ' 71' ' ' HIS . 35.9 p90 -172.81 164.4 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.455 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 94.4 m-20 -111.96 126.0 29.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -30.95 21.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.35 -13.4 38.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.6 -25.27 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 25' ' ' THR . 57.4 t-20 -34.15 136.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.418 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 7.0 m -145.32 171.99 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -1.52 8.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -137.44 39.19 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.67 -12.92 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.061 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 t -117.2 125.61 51.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.8 95.86 5.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.171 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.48 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 28.1 p90 -124.41 -175.05 3.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.463 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.7 m-70 -120.5 107.5 38.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.596 0.712 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 3.19 2.9 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.62 -148.06 20.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.475 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.24 156.21 75.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.682 0.753 . . . . 0.0 111.116 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.417 ' HG3' ' NH2' ' A' ' 15' ' ' ARG . 53.8 Cg_endo -69.71 116.44 4.56 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.665 2.243 . . . . 0.0 112.304 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -112.39 151.85 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.79 95.88 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.492 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 12.6 p80 -122.42 130.52 53.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 54.74 38.74 30.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 71.74 1.33 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.442 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 9.7 mt -94.26 99.67 11.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 14.1 mttp -84.3 118.93 24.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.22 -146.47 4.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -139.76 147.4 40.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.718 0.294 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -79.45 11.29 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.7 p -97.16 -41.25 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -122.48 -177.07 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -93.3 -18.37 22.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.823 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 15.1 tpt180 -45.61 135.5 6.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.492 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.0 tpp180 -153.03 131.01 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.459 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.4 t -134.87 149.37 50.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.412 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . 18.5 p -93.55 -17.5 23.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -87.39 114.95 24.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -46.79 -42.6 17.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -46.09 89.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -65.0 -40.14 94.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.48 ' CE2' HD21 ' A' ' 61' ' ' LEU . 4.8 t80 -49.24 -44.62 43.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.48 HD21 ' CE2' ' A' ' 60' ' ' PHE . 6.7 mt -77.07 -11.33 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.6 t -90.26 -30.49 17.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 62' ' ' SER . 79.2 mt -34.08 100.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.3 p -56.37 134.63 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.463 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -41.21 143.88 0.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.461 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.1 p -99.06 -18.35 17.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 62.8 m -106.0 163.74 12.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.442 ' N ' ' CG2' ' A' ' 67' ' ' THR . 22.8 mmtt -126.41 140.36 52.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.5 -149.19 7.71 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -106.92 133.95 50.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.649 ' CD2' ' CB ' ' A' ' 21' ' ' PHE . 97.3 m-70 -46.34 173.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.467 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . 0.9 OUTLIER -128.95 106.18 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.4 t -82.18 3.89 25.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.47 155.3 39.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.575 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -164.3 139.99 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 p -92.39 144.93 24.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.89 119.39 2.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 t -78.91 71.89 5.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.827 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -77.1 166.72 22.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.65 23.65 0.93 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 ptp -118.54 6.54 11.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.12 102.84 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 10.0 mt -82.71 137.54 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.46 HD13 ' N ' ' A' ' 12' ' ' CYS . 3.3 tp -79.88 119.77 23.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.46 ' N ' HD13 ' A' ' 11' ' ' LEU . 8.4 t -68.04 144.49 55.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' ASN . 70.8 m-85 -124.1 36.85 4.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.496 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 85.8 m-20 -106.11 128.1 53.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.81 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -48.62 117.47 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.74 -23.14 22.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 t -103.17 -71.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.19 19.8 0.71 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -108.14 167.49 9.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.916 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -76.84 170.97 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.658 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 43.8 p90 -170.31 166.84 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.461 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 13.0 m-20 -113.37 125.34 29.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.63 10.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.668 2.246 . . . . 0.0 112.309 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -14.83 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -127.39 -26.89 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.143 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' THR . 62.2 t-20 -34.34 135.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.407 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 33.9 m -142.67 179.82 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -74.45 -4.56 37.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -135.47 39.82 2.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.3 -14.5 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 35.4 t -117.22 128.88 55.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.42 HG21 ' C ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -115.59 106.68 14.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.168 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.496 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 23.0 p90 -135.57 -175.75 4.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.573 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.3 m-70 -117.38 106.17 47.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.524 0.678 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.61 3.06 2.92 Favored 'Trans proline' 0 C--O 1.23 0.087 0 C-N-CA 122.727 2.285 . . . . 0.0 112.356 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.52 -161.43 24.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.24 155.7 61.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.622 0.725 . . . . 0.0 111.123 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.472 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.7 Cg_endo -69.83 123.11 9.76 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.408 HG12 ' NH2' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -125.0 148.71 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.41 95.44 3.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.779 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.501 ' NE2' ' NH2' ' A' ' 53' ' ' ARG . 4.3 p80 -122.99 135.9 54.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.9 OUTLIER 52.47 44.66 29.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 68.39 0.63 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.416 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 15.2 mt -94.04 113.03 24.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -104.36 119.56 39.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.428 ' HA3' ' NH1' ' A' ' 53' ' ' ARG . . . -155.26 -146.48 4.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.472 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 49.3 m95 -136.29 147.57 47.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.848 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -69.45 -0.7 6.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.7 p -89.53 -36.42 15.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.3 p -128.08 176.3 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 52' ' ' ARG . 14.4 mmtt -93.5 -26.72 17.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 51' ' ' LYS . 18.8 tpp180 -33.89 139.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.501 ' NH2' ' NE2' ' A' ' 41' ' ' HIS . 14.9 mmt-85 -152.74 149.48 28.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 t -152.3 126.22 9.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -66.22 -11.09 47.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -92.41 129.5 38.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -65.93 -35.72 81.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 t -66.89 -54.14 25.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -56.51 -36.57 69.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -51.6 -50.45 60.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.78 -0.03 12.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -100.98 -27.86 13.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' SER . 55.0 mt -35.18 115.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.1 t -65.99 129.4 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -39.34 143.83 0.36 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.527 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.5 p -100.52 -12.65 19.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 70.9 m -107.34 165.47 11.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.466 ' N ' ' CG2' ' A' ' 67' ' ' THR . 4.4 mmtm -130.59 140.59 50.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.84 -152.23 9.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -105.68 127.55 53.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.658 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 69.4 m-70 -46.95 133.89 10.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 13' ' ' TYR . 19.6 m-20 -92.17 106.22 18.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.0 t -77.87 5.76 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -130.35 133.42 46.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -103.7 168.54 9.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.934 0.397 . . . . 0.0 110.815 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -138.8 144.52 39.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.06 160.0 53.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -107.25 167.81 9.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.937 0.399 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -69.67 147.72 50.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.823 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.78 -19.14 20.76 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.4 ptp -83.11 11.61 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.344 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.47 97.73 6.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.0 mt -80.61 139.3 36.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.45 HD11 ' N ' ' A' ' 12' ' ' CYS . 2.0 tp -79.8 122.63 26.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.45 ' N ' HD11 ' A' ' 11' ' ' LEU . 25.4 t -73.45 146.95 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.467 ' CD1' ' CD ' ' A' ' 75' ' ' LYS . 54.9 m-85 -127.08 37.14 4.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 84.7 m-20 -108.02 125.46 51.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.4 mtt-85 -44.2 125.37 4.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.19 -17.84 56.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -110.28 -71.99 0.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.87 19.56 0.35 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -108.09 168.79 9.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.969 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -74.8 173.76 10.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.563 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 36.2 p90 -172.76 163.68 5.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.468 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 50.9 m-20 -111.03 124.63 32.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.732 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -33.26 17.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.34 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.12 -10.7 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -129.71 -29.87 2.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 25' ' ' THR . 61.9 t-20 -37.23 138.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.84 -177.32 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.496 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 2.1 t70 -75.54 6.32 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.416 ' HA ' ' HB3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -150.54 26.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.04 -9.46 20.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.571 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 34.9 t -117.67 127.42 53.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -110.35 108.77 18.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.461 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 40.2 p90 -135.28 -175.67 4.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.546 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 91.0 m-70 -117.3 108.51 43.58 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.717 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.9 3.1 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.7 2.266 . . . . 0.0 112.372 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.99 -151.53 22.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.82 155.1 78.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.688 0.756 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.4 Cg_endo -69.79 117.7 5.24 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.691 2.26 . . . . 0.0 112.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -117.13 154.0 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.4 m-85 -136.82 95.73 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.549 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.91 131.5 53.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 53.35 40.96 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 66.94 10.53 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.456 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 9.5 mt -102.82 94.97 5.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 11.2 mttp -81.28 119.94 24.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.74 -149.75 5.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.467 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 47.8 m95 -137.65 148.45 45.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.787 0.327 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.6 t -79.46 10.55 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.422 ' SG ' ' CB ' ' A' ' 47' ' ' TRP . 3.6 p -95.45 -46.93 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 1.8 p -115.47 179.3 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -93.32 -6.11 48.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -57.93 135.44 56.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.549 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -153.48 129.89 10.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.0 t -130.48 145.58 51.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.437 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . 9.7 p -83.82 -23.35 31.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.74 153.56 32.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 5.8 t80 -83.41 -30.42 27.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t -73.6 -48.65 31.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.7 -42.15 74.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -47.44 -46.8 26.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.7 mt -73.18 -15.71 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.1 t -85.14 -33.58 22.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 62' ' ' SER . 97.7 mt -34.19 99.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 65' ' ' GLY . 3.4 p -60.82 135.75 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.546 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -39.88 141.5 0.71 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.446 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 29.1 p -95.86 -16.42 21.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 91.8 m -110.47 165.54 11.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.468 ' N ' ' CG2' ' A' ' 67' ' ' THR . 12.9 mmtp -128.43 144.58 51.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 28' ' ' ASP . . . -175.2 -146.86 5.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.497 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 33.4 mtt180 -109.54 133.1 53.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 31' ' ' CYS . 83.1 m-70 -54.55 134.23 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.444 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 10.4 m-20 -93.38 106.19 18.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.1 p -76.87 4.69 9.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -130.12 131.14 45.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.467 ' CD ' ' CD1' ' A' ' 13' ' ' TYR . 3.3 mmmm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.442 ' O ' ' CD ' ' A' ' 23' ' ' PRO . 4.3 ptp . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.817 0.341 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.55 99.49 7.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.9 mt -81.02 139.28 35.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.706 HD22 ' NH1' ' A' ' 20' ' ' ARG . 2.2 tp -79.91 124.7 28.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.703 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.8 t -72.69 144.17 47.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 60.4 m-85 -123.8 38.36 4.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.512 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 82.7 m-20 -109.28 127.78 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 -49.12 121.53 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.2 -22.76 30.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -105.11 -71.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.54 17.68 0.8 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -104.12 167.91 9.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.706 ' NH1' HD22 ' A' ' 11' ' ' LEU . 26.4 mmt-85 -77.25 173.96 11.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.678 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 44.0 p90 -172.71 165.55 5.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -107.29 128.85 25.2 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.536 0.684 . . . . 0.0 110.917 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.442 ' CD ' ' O ' ' A' ' 8' ' ' MET . 54.3 Cg_endo -69.76 -43.66 2.53 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.631 2.221 . . . . 0.0 112.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -8.21 17.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -124.59 -20.18 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' ASP . 62.4 t-20 -47.0 141.72 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.451 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 41.0 m -145.93 163.27 35.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -7.59 5.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -131.49 37.31 3.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.87 -16.24 8.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' HG ' ' HA ' ' A' ' 71' ' ' HIS . 43.4 t -114.73 129.52 56.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER -117.74 99.82 7.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.512 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 22.5 p90 -126.82 -175.83 3.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.98 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.561 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.8 m-70 -116.79 105.24 50.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.671 0.748 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.22 2.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.368 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.66 -147.75 21.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.509 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.81 155.13 76.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 111.144 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.422 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 54.3 Cg_endo -69.76 121.75 8.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.655 2.237 . . . . 0.0 112.422 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.425 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.24 152.74 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.051 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.425 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -136.81 95.84 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.501 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 11.0 p80 -122.39 130.43 53.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.0 m-20 54.58 40.47 31.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.02 8.51 6.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.734 HD23 HG22 ' A' ' 55' ' ' THR . 9.4 mt -101.43 99.07 9.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 12.6 mttp -82.22 121.1 26.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.54 -147.68 4.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.422 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 49.5 m95 -141.7 148.68 39.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.715 0.293 . . . . 0.0 110.978 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -79.19 11.23 2.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 p -96.51 -44.0 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 1.8 p -119.97 178.9 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -92.23 -8.67 44.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.658 ' HG2' HG23 ' A' ' 63' ' ' ILE . 6.6 tpm_? -54.64 137.95 42.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.501 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.9 tpp180 -153.67 129.28 10.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.577 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.0 t -134.22 154.82 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.734 HG22 HD23 ' A' ' 44' ' ' LEU . 72.5 p -101.48 -15.23 17.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 58' ' ' SER . 4.9 t70 -85.23 103.63 14.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' ASP . 53.5 t80 -36.91 -29.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 56' ' ' ASP . 5.6 t -72.63 -50.45 25.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 56' ' ' ASP . 19.6 m-20 -57.81 -40.79 80.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.596 ' CE2' HD23 ' A' ' 61' ' ' LEU . 8.8 t80 -51.17 -47.79 62.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.823 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.596 HD23 ' CE2' ' A' ' 60' ' ' PHE . 5.7 mt -75.82 -5.24 44.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -100.52 -31.23 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.658 HG23 ' HG2' ' A' ' 52' ' ' ARG . 83.4 mt -34.26 105.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 p -59.83 137.57 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.96 145.07 4.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.543 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.412 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 28.6 p -98.27 -10.95 23.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.618 HG22 ' N ' ' A' ' 68' ' ' LYS . 90.7 m -110.38 164.53 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.618 ' N ' HG22 ' A' ' 67' ' ' THR . 36.7 mmtt -127.49 142.19 51.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.32 -155.22 13.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -104.62 123.09 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.678 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 58.4 m80 -40.75 136.21 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 13' ' ' TYR . 2.1 m120 -90.81 108.75 20.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.3 p -79.71 8.69 6.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -136.15 144.52 45.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.522 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 25.1 mtmt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 ptp . . . . . 0 N--CA 1.458 -0.039 0 CA-C-O 120.831 0.348 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.14 101.17 6.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 14.4 mt -82.48 140.6 33.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.692 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.2 tp -79.79 125.68 30.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.692 ' N ' HD12 ' A' ' 11' ' ' LEU . 12.3 t -80.28 133.63 36.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -113.35 32.2 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.481 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 87.7 m-20 -99.15 122.88 42.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.6 mtm-85 -43.66 127.96 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.77 -19.36 54.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.25 -71.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.37 18.01 0.82 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -110.84 161.34 15.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -70.76 175.74 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.601 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 34.0 p90 -172.75 166.06 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 26' ' ' ASN . 1.5 m-20 -108.45 127.65 27.09 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.565 0.698 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -44.13 2.23 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.317 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.78 -12.63 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -120.62 -20.9 6.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' ASP . 64.4 t-20 -45.8 137.02 5.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -141.25 164.55 29.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -7.69 5.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.796 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -132.18 38.32 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.35 -15.51 7.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.6 t -114.14 125.6 54.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.499 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -114.0 100.55 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.157 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.481 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 34.5 p90 -126.91 -175.77 3.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.567 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.1 m-70 -116.77 106.51 47.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.803 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 2.92 3.07 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.295 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.72 -148.11 20.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.413 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.16 155.23 76.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.584 0.706 . . . . 0.0 111.129 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 54.0 Cg_endo -69.74 120.63 7.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.266 . . . . 0.0 112.279 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -117.9 152.34 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.068 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.423 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.87 95.99 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.533 ' NE2' ' CZ ' ' A' ' 53' ' ' ARG . 10.3 p80 -122.35 130.67 53.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.1 m-20 54.79 40.57 32.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.35 7.63 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.895 HD23 HG22 ' A' ' 55' ' ' THR . 12.3 mt -100.75 101.46 12.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -84.41 120.43 26.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.27 -147.96 4.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.421 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 51.6 m95 -142.0 149.28 39.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.775 0.321 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.4 t -79.65 11.79 2.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 p -97.56 -41.54 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 p -123.92 179.71 4.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -88.83 -23.63 22.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.645 ' HG2' HG23 ' A' ' 63' ' ' ILE . 4.3 tpm_? -40.62 136.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.533 ' CZ ' ' NE2' ' A' ' 41' ' ' HIS . 11.2 tpp180 -153.76 136.91 15.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.606 HG21 ' HB3' ' A' ' 59' ' ' ASP . 12.9 t -146.81 154.32 41.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.895 HG22 HD23 ' A' ' 44' ' ' LEU . 9.1 p -96.36 -30.15 13.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 59' ' ' ASP . 13.2 m-20 -69.84 104.4 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -41.38 -29.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -71.25 -40.71 70.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.606 ' HB3' HG21 ' A' ' 54' ' ' THR . 24.6 t70 -67.42 -43.25 81.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.415 ' N ' HG21 ' A' ' 54' ' ' THR . 1.9 t80 -50.26 -34.98 25.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mt -81.4 -17.67 48.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -86.83 -32.45 20.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.645 HG23 ' HG2' ' A' ' 52' ' ' ARG . 94.8 mt -33.99 102.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.1 t -61.08 136.22 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -44.35 143.7 2.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.2 p -98.41 -9.34 25.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 68' ' ' LYS . 85.3 m -112.78 164.07 13.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.199 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.6 ' N ' HG22 ' A' ' 67' ' ' THR . 11.1 mmtp -126.25 143.87 50.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.59 -152.45 10.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -109.46 124.03 50.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.601 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 68.9 m-70 -42.6 142.62 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.817 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -102.12 108.23 19.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.8 t -79.84 8.1 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -132.81 132.01 41.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.8 ptp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.746 0.308 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.13 96.89 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.7 mt -79.28 140.17 37.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 12' ' ' CYS . 6.2 tp -81.88 123.64 29.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.509 ' N ' HD12 ' A' ' 11' ' ' LEU . 29.8 t -75.96 137.46 40.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -118.37 34.74 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.531 ' ND2' ' H ' ' A' ' 72' ' ' ASN . 86.4 m-20 -104.3 122.66 45.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -43.75 125.88 4.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.59 -18.32 53.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.3 -71.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.904 0.383 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.08 18.63 0.84 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -109.37 161.4 15.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.769 0.319 . . . . 0.0 110.938 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -71.57 175.66 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.682 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 35.2 p90 -172.68 164.73 5.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.48 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 0.9 OUTLIER -111.29 125.61 30.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 0.0 110.877 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -39.74 6.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -51.43 -17.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.38 -25.74 3.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' THR . 7.6 t-20 -34.5 140.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.0 m -149.09 169.57 20.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.41 -4.78 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -132.22 35.69 3.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.89 -14.69 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.6 t -117.2 126.48 52.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.576 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -115.06 101.93 9.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.07 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 21.1 p90 -127.91 -175.77 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.562 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.1 m-70 -117.32 105.1 49.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 3.25 2.9 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.27 -147.33 20.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.16 155.22 76.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.76 121.99 8.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.306 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.57 151.92 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.49 95.96 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.512 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 9.6 p80 -122.27 130.21 52.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.3 OUTLIER 55.27 39.31 31.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 69.36 7.38 6.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.705 HD23 HG22 ' A' ' 55' ' ' THR . 9.6 mt -100.35 100.54 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -82.97 119.6 24.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.17 -148.36 4.73 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.408 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 56.4 m95 -141.33 149.75 41.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -80.2 12.68 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 p -98.86 -45.42 6.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.41 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 2.4 p -119.4 -176.68 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -92.58 -21.78 19.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.759 ' HG2' HG23 ' A' ' 63' ' ' ILE . 11.9 tpp180 -41.91 134.52 2.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.512 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.2 tpp180 -151.46 124.69 8.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.605 HG21 ' N ' ' A' ' 60' ' ' PHE . 7.5 t -135.5 145.0 46.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.705 HG22 HD23 ' A' ' 44' ' ' LEU . 72.9 p -90.12 -26.27 20.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 58' ' ' SER . 48.1 t0 -70.94 100.77 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ASP . 47.1 t80 -36.52 -30.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 56' ' ' ASP . 8.5 t -71.47 -48.33 49.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.483 ' C ' HG21 ' A' ' 54' ' ' THR . 45.7 m-20 -61.43 -39.59 91.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.605 ' N ' HG21 ' A' ' 54' ' ' THR . 4.9 t80 -54.39 -40.05 67.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.773 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.445 HD23 ' CE2' ' A' ' 60' ' ' PHE . 37.3 mt -81.86 -3.06 53.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 t -104.36 -28.57 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.759 HG23 ' HG2' ' A' ' 52' ' ' ARG . 68.6 mt -34.05 106.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.181 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.75 133.62 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.576 ' C ' HG22 ' A' ' 32' ' ' THR . . . -45.19 145.61 2.38 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.41 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 28.3 p -98.2 -15.21 19.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.586 HG22 ' N ' ' A' ' 68' ' ' LYS . 98.5 m -106.86 162.76 13.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.098 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.586 ' N ' HG22 ' A' ' 67' ' ' THR . 11.2 mmtp -126.27 143.1 51.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.33 -154.85 13.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -104.13 127.64 51.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.765 0.317 . . . . 0.0 110.945 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.682 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 85.7 m-70 -43.68 135.39 3.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.531 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 12.9 m-20 -87.94 101.75 14.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 p -75.51 0.17 18.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -124.89 156.3 38.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 ptp . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.773 0.32 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.93 98.53 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.7 mt -79.3 143.57 35.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.5 tp -83.87 124.48 31.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.646 ' N ' HD12 ' A' ' 11' ' ' LEU . 20.2 t -76.63 141.52 41.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -121.73 35.85 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.521 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 85.8 m-20 -105.75 123.64 48.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -43.17 125.91 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.77 -16.91 58.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -109.18 -71.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.4 19.42 0.44 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -109.04 168.32 9.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.586 ' NH1' HD22 ' A' ' 11' ' ' LEU . 26.5 mmt-85 -76.55 174.27 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.598 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 41.0 p90 -172.74 166.07 5.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -108.29 128.28 25.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.563 0.697 . . . . 0.0 110.925 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -43.78 2.47 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.724 2.283 . . . . 0.0 112.357 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -61.99 -10.5 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 p -125.28 -18.41 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' ASP . 40.6 t-20 -56.52 137.78 52.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.453 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -142.1 -170.23 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -82.47 -0.94 48.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -135.91 32.03 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.02 -13.58 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.543 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 43.6 t -117.18 124.82 50.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.512 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -113.75 97.5 6.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.521 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 27.8 p90 -124.01 -175.67 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.564 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.1 m-70 -116.88 106.43 47.82 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 3.41 2.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.61 -147.99 20.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.99 155.22 76.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 111.175 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 54.1 Cg_endo -69.77 122.5 9.17 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.708 2.272 . . . . 0.0 112.377 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.42 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.83 152.18 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.42 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -135.94 95.5 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.51 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 8.8 p80 -122.78 130.85 53.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.7 m-20 54.71 39.93 31.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.24 11.14 8.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.913 HD23 HG22 ' A' ' 55' ' ' THR . 12.0 mt -103.99 98.78 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -80.82 121.22 25.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.6 -148.37 4.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.47 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.436 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 48.3 m95 -142.15 148.86 38.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 t -78.79 10.35 3.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.79 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 p -96.12 -46.98 6.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.445 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 1.6 p -117.25 -179.05 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -93.41 -11.98 30.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.617 ' HG2' HG23 ' A' ' 63' ' ' ILE . 12.2 tpp85 -51.73 131.45 30.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.51 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -147.86 126.6 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.554 HG21 ' N ' ' A' ' 60' ' ' PHE . 12.3 t -132.37 151.88 51.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.913 HG22 HD23 ' A' ' 44' ' ' LEU . 81.1 p -98.11 -12.81 21.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -91.83 108.57 20.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' A' ' 61' ' ' LEU . 44.8 t80 -40.62 -46.53 2.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.0 t -55.75 -42.69 75.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -70.17 -41.81 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.654 ' CE2' HD23 ' A' ' 61' ' ' LEU . 2.6 t80 -49.93 -43.07 49.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.654 HD23 ' CE2' ' A' ' 60' ' ' PHE . 8.6 mt -77.83 -11.46 59.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.2 t -91.99 -28.71 17.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.617 HG23 ' HG2' ' A' ' 52' ' ' ARG . 64.2 mt -34.0 104.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.1 p -58.73 130.66 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.564 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -41.75 144.15 0.88 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.445 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 29.2 p -98.5 -9.39 25.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.931 0.396 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.599 HG22 ' N ' ' A' ' 68' ' ' LYS . 86.2 m -112.9 163.75 14.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.599 ' N ' HG22 ' A' ' 67' ' ' THR . 14.2 mmtp -126.98 142.51 51.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.47 -152.95 10.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.7 mtt-85 -105.91 129.35 54.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.598 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 77.0 m-70 -48.02 136.12 11.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.518 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 16.2 m-20 -90.75 106.51 18.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.7 p -76.39 2.33 13.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -128.16 150.74 49.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.0 mttt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.6 ptp . . . . . 0 N--CA 1.46 0.054 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.52 100.84 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 15.6 mt -79.96 141.68 35.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.639 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.8 tp -83.92 127.24 33.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.639 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.3 t -79.56 143.08 35.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.536 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 91.3 m-85 -123.35 31.51 5.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.491 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 85.5 m-20 -96.99 128.77 44.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.432 ' HB3' ' CH2' ' A' ' 47' ' ' TRP . 32.7 mtp85 -50.67 112.81 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.33 -9.31 28.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.6 t -116.47 -70.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.99 19.58 0.58 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -108.03 164.52 12.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 110.968 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.618 ' NH1' HD22 ' A' ' 11' ' ' LEU . 23.3 mmt-85 -75.79 173.45 11.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.669 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 43.0 p90 -172.19 166.9 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -108.74 128.11 26.14 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.656 0.741 . . . . 0.0 110.86 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -43.96 2.4 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -10.08 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 p -123.91 -19.59 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 27' ' ' SER . 58.4 t-20 -44.27 140.26 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.466 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 6.4 m -145.38 173.43 12.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.36 -7.13 45.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -132.31 37.01 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.7 -15.59 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 33.5 t -117.19 129.98 56.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.57 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.6 m -117.13 104.17 10.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.491 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 32.9 p90 -130.89 -175.81 3.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.55 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.8 m-70 -117.51 108.01 43.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -2.42 10.16 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.98 -148.4 24.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.571 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.23 155.14 76.0 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.704 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 108.96 2.19 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.306 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.432 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -106.98 153.31 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.432 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -136.92 96.12 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.549 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.28 130.85 53.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.9 OUTLIER 53.66 41.67 32.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.8 6.53 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.029 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.477 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 8.4 mt -99.25 93.37 5.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.975 0.417 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 11.8 mttp -80.25 117.21 20.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.98 -148.64 4.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.435 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.432 ' CH2' ' HB3' ' A' ' 15' ' ' ARG . 68.5 m95 -134.19 152.5 51.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.5 p -83.62 9.88 10.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.6 p -95.98 -50.73 4.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.6 p -112.78 -176.47 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -93.35 -16.86 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.659 ' HG2' HG23 ' A' ' 63' ' ' ILE . 13.0 tpp180 -44.21 133.73 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.549 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.8 tpp180 -153.12 138.22 17.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.802 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 t -142.86 148.85 37.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.47 ' CG2' HD23 ' A' ' 44' ' ' LEU . 4.4 p -89.87 -19.09 25.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -81.18 124.44 29.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -56.29 -30.86 63.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.5 t -73.41 -60.52 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -46.37 -37.7 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -50.49 -40.96 52.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt -78.17 -12.67 60.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -87.21 -31.02 20.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.659 HG23 ' HG2' ' A' ' 52' ' ' ARG . 79.4 mt -33.99 102.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.27 138.1 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.57 ' C ' HG22 ' A' ' 32' ' ' THR . . . -47.4 143.41 5.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.3 p -99.26 -20.75 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.588 HG22 ' N ' ' A' ' 68' ' ' LYS . 87.4 m -101.08 163.28 12.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.588 ' N ' HG22 ' A' ' 67' ' ' THR . 6.5 mmtm -126.31 144.89 50.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.67 -149.54 8.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -109.61 127.76 54.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.669 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 66.5 m-70 -47.1 139.32 5.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -96.64 103.37 15.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.5 p -75.01 3.38 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -116.33 151.61 35.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.536 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 ptp . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.88 98.34 9.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 10.4 mt -79.3 138.79 37.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 12' ' ' CYS . 4.8 tp -79.68 125.04 29.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.576 ' N ' HD12 ' A' ' 11' ' ' LEU . 16.8 t -77.42 140.77 39.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -120.97 33.26 5.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.478 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 85.5 m-20 -102.77 125.93 49.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -46.06 123.64 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.64 -21.21 39.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.6 -70.97 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.38 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.29 18.85 0.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -110.06 164.61 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -73.13 171.88 12.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.604 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 44.8 p90 -170.33 165.72 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -108.24 128.2 26.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.61 0.719 . . . . 0.0 110.818 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -43.77 2.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -60.62 -11.71 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -125.16 -19.68 5.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . 37.4 t-20 -54.36 132.11 43.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.45 -170.06 2.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -82.09 -1.46 48.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -135.09 32.11 3.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.17 -12.78 10.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.566 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 47.4 t -117.2 125.62 51.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.558 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.1 m -113.8 96.54 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.478 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 39.4 p90 -123.58 -175.8 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.495 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.7 m-70 -117.58 108.98 42.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.594 0.711 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.4 3.56 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.744 2.296 . . . . 0.0 112.326 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.56 -149.94 23.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.95 155.14 76.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 111.114 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.82 117.14 4.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -116.28 154.2 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 m-85 -136.78 95.98 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.55 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.45 130.46 53.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 10.7 m-20 53.77 41.89 31.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.55 6.72 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.719 HD23 HG22 ' A' ' 55' ' ' THR . 9.5 mt -99.65 99.26 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -84.71 117.7 23.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.75 -150.79 5.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.445 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 64.6 m95 -135.67 149.95 49.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.302 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.0 t -79.88 12.1 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.6 p -99.21 -50.61 4.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.9 p -114.09 179.96 3.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -89.65 -20.97 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.792 ' HG2' HG23 ' A' ' 63' ' ' ILE . 18.7 tpp180 -41.78 130.12 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.55 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -146.95 136.8 23.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.499 HG21 ' N ' ' A' ' 60' ' ' PHE . 10.7 t -148.44 146.24 28.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.719 HG22 HD23 ' A' ' 44' ' ' LEU . 23.7 p -90.25 -27.26 19.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 59' ' ' ASP . 7.0 t0 -71.56 104.5 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -41.09 -35.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -67.23 -40.76 86.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -68.3 -41.77 80.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.499 ' N ' HG21 ' A' ' 54' ' ' THR . 1.3 t80 -52.3 -36.36 52.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.415 HD23 ' CE2' ' A' ' 60' ' ' PHE . 12.1 mt -79.57 -18.5 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.3 t -86.21 -30.88 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.792 HG23 ' HG2' ' A' ' 52' ' ' ARG . 80.9 mt -34.04 101.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.217 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.9 p -58.87 139.29 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.069 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.558 ' C ' HG22 ' A' ' 32' ' ' THR . . . -47.16 143.91 5.31 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.441 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 p -99.04 -14.17 19.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.591 HG22 ' N ' ' A' ' 68' ' ' LYS . 91.0 m -108.44 163.97 12.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.591 ' N ' HG22 ' A' ' 67' ' ' THR . 31.7 mmtt -127.35 142.15 51.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.6 -154.63 13.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.1 mtm105 -103.71 127.91 51.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.604 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 63.7 m-70 -47.51 140.99 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.454 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 20.0 m-20 -96.83 108.68 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.6 p -83.25 16.14 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -136.32 133.67 37.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.9 mttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.756 0.312 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.5 101.54 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.054 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.8 mt -80.92 136.04 35.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.721 HD12 ' N ' ' A' ' 12' ' ' CYS . 1.5 tp -79.79 122.13 26.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.721 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.7 t -78.27 134.07 37.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.405 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 94.3 m-85 -111.76 11.5 20.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.498 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 87.3 m-20 -77.5 126.37 30.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.817 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -47.87 130.42 14.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.04 -17.96 57.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -108.27 -71.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.949 0.404 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.19 17.9 1.15 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.549 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -109.19 169.82 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -80.86 173.57 12.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.815 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.671 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 37.3 p90 -171.71 163.99 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.485 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 15.6 m-20 -111.28 126.36 28.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -38.43 7.84 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.46 -16.45 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.59 -25.67 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' THR . 9.5 t-20 -34.26 138.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.405 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 5.0 m -144.46 174.59 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.5 -3.2 23.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -134.73 36.45 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.82 -13.56 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.567 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.0 t -117.22 123.66 47.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.506 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -111.19 96.2 5.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 38.3 p90 -123.24 -175.68 3.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.517 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.5 m-70 -117.69 108.41 43.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.59 0.709 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.55 3.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.342 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.97 -150.08 23.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.98 155.13 76.43 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.68 0.752 . . . . 0.0 111.07 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.6 Cg_endo -69.79 117.72 5.25 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -117.48 153.96 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.447 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 m-85 -136.73 96.13 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.551 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.41 128.89 51.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.424 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.4 m-20 55.11 41.67 31.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.71 6.01 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.757 HD23 HG22 ' A' ' 55' ' ' THR . 8.1 mt -98.94 97.67 8.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -83.25 117.61 23.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.98 -151.73 5.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.406 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 65.5 m95 -134.79 150.09 50.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.787 0.327 . . . . 0.0 110.984 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.4 t -80.3 13.06 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.1 p -100.21 -49.36 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 p -115.54 -178.32 3.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' ARG . 10.6 mtmt -89.32 -26.87 20.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.691 ' HG2' HG23 ' A' ' 63' ' ' ILE . 2.3 tpm_? -35.03 135.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.937 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.551 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -153.72 128.2 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.59 HG22 HD11 ' A' ' 63' ' ' ILE . 11.0 t -139.31 140.35 37.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.757 HG22 HD23 ' A' ' 44' ' ' LEU . 38.5 p -83.98 -27.83 28.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -70.75 104.68 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -42.45 -28.32 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -72.3 -47.44 49.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.82 -40.67 97.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.55 ' N ' HG21 ' A' ' 54' ' ' THR . 2.4 t80 -50.09 -38.32 38.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.6 mt -79.37 -18.54 52.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 t -86.17 -30.44 22.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.691 HG23 ' HG2' ' A' ' 52' ' ' ARG . 90.9 mt -35.36 101.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.183 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 64' ' ' VAL . 1.4 p -57.13 147.12 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.517 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -54.42 143.57 30.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.502 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.5 p -98.71 -10.94 22.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.598 HG22 ' N ' ' A' ' 68' ' ' LYS . 86.0 m -111.99 164.04 13.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.095 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.598 ' N ' HG22 ' A' ' 67' ' ' THR . 34.4 mmtt -127.03 143.17 51.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.91 -154.63 13.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -103.5 127.99 50.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.671 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 79.1 m-70 -47.87 133.81 13.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 29.2 p-10 -89.74 104.99 17.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.8 p -79.02 6.67 8.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -113.7 147.37 38.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.4 ptp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.732 0.301 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.99 101.51 8.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 14.2 mt -81.79 138.98 35.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.5 tp -79.73 122.19 26.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.625 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.3 t -71.09 145.14 50.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 60.0 m-85 -126.53 37.22 4.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.522 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 85.9 m-20 -108.52 122.56 47.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -43.92 120.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.97 -16.25 36.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.514 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 t -113.29 -71.14 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.897 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.2 18.03 0.77 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -105.89 168.68 8.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.948 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -77.3 170.33 16.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.633 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 44.9 p90 -170.21 165.19 9.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.482 ' HB2' HG23 ' A' ' 25' ' ' THR . 0.6 OUTLIER -108.74 128.52 25.38 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.547 0.689 . . . . 0.0 110.913 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.92 2.36 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.64 2.227 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.63 -15.12 6.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.482 HG23 ' HB2' ' A' ' 22' ' ' ASP . 0.2 OUTLIER -119.26 -25.37 6.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.176 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 27' ' ' SER . 53.2 t-20 -37.4 139.66 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 6.9 m -144.75 170.08 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -69.1 -7.98 41.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.3 p30 -132.89 35.18 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.42 -14.91 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.055 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 44.4 t -117.2 132.15 56.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.816 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.546 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.3 m -119.18 99.99 7.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.522 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 29.7 p90 -127.37 -175.85 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.492 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.7 m-70 -117.06 107.35 45.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 2.95 3.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.59 -150.0 24.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.24 155.08 77.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.689 0.757 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.76 119.16 6.15 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.674 2.249 . . . . 0.0 112.367 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -119.29 153.62 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.028 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.78 95.98 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.552 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.38 130.05 52.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.7 OUTLIER 54.19 42.08 31.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.53 6.6 5.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.595 HD23 HG22 ' A' ' 55' ' ' THR . 8.1 mt -99.34 98.89 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -84.97 116.72 23.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.97 -150.92 5.29 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.525 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.409 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 63.7 m95 -135.2 149.84 49.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.8 t -79.72 11.83 2.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 p -97.68 -51.37 4.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.8 p -113.79 -176.05 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 52' ' ' ARG . 13.4 mtpp -90.73 -28.04 18.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.677 ' HG2' HG23 ' A' ' 63' ' ' ILE . 16.3 tpp180 -34.44 133.84 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.552 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.6 tpp180 -153.11 125.37 8.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.65 HG21 ' N ' ' A' ' 60' ' ' PHE . 13.1 t -132.13 150.03 52.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.595 HG22 HD23 ' A' ' 44' ' ' LEU . 52.9 p -92.16 -29.53 16.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' SER . 68.3 m-20 -71.95 105.93 4.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -39.18 -28.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' ASP . 2.4 t -71.94 -53.12 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.45 ' C ' HG21 ' A' ' 54' ' ' THR . 0.9 OUTLIER -54.19 -42.25 69.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.65 ' N ' HG21 ' A' ' 54' ' ' THR . 2.9 t80 -51.06 -37.92 48.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.1 mt -81.02 -14.5 57.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.4 t -91.45 -31.67 15.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.677 HG23 ' HG2' ' A' ' 52' ' ' ARG . 90.4 mt -34.11 101.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.73 140.26 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.546 ' C ' HG22 ' A' ' 32' ' ' THR . . . -47.24 145.55 4.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.8 p -99.48 -18.56 17.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.942 0.401 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.621 HG22 ' N ' ' A' ' 68' ' ' LYS . 95.4 m -103.99 164.67 11.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.621 ' N ' HG22 ' A' ' 67' ' ' THR . 15.9 mmtp -127.13 143.74 51.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.44 -154.68 13.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -104.39 126.02 51.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.387 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.633 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 61.4 m-70 -44.12 134.68 4.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.518 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 12.4 m-20 -90.34 108.51 19.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -81.92 6.6 15.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -133.2 127.34 33.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.569 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 20.2 mmtt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 ptp . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.2 95.84 10.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 9.7 mt -79.72 139.25 37.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.8 tp -79.99 123.54 27.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.649 ' N ' HD12 ' A' ' 11' ' ' LEU . 28.3 t -79.5 138.55 37.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.582 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 94.5 m-85 -119.48 35.22 4.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.497 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 89.3 m-20 -96.92 157.44 15.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.429 ' HB3' ' CZ3' ' A' ' 47' ' ' TRP . 6.2 mmt85 -69.51 115.33 8.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.42 -30.8 9.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -89.12 -72.34 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.14 19.32 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -114.19 170.34 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 110.959 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.532 ' NH1' HD22 ' A' ' 11' ' ' LEU . 17.9 mmt-85 -73.85 175.09 7.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 34.2 p90 -172.81 165.55 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.473 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 1.1 m-20 -111.59 122.51 37.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.721 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -39.13 6.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 0.0 112.427 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -50.78 -17.94 0.64 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -127.06 -26.39 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -39.67 130.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.52 -170.56 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -81.78 -1.07 45.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -136.33 34.81 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.59 -12.31 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.489 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 41.0 t -117.19 123.31 46.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.502 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -109.5 100.33 9.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.497 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 50.1 p90 -127.58 -175.63 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.462 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 92.2 m-70 -119.55 113.34 34.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.596 0.712 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 3.17 2.95 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.78 -149.77 16.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.538 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.86 155.02 76.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.9 Cg_endo -69.75 106.82 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.329 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -103.42 154.34 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.457 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.4 m-85 -136.77 95.7 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.55 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.75 131.13 53.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.8 OUTLIER 53.49 41.52 32.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 66.93 9.36 6.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.684 HD23 HG22 ' A' ' 55' ' ' THR . 10.5 mt -101.67 95.0 6.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -80.74 117.58 21.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.52 -150.9 5.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.43 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 54.9 m95 -134.82 146.69 49.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.738 0.304 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.5 t -78.32 9.54 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 p -97.3 -48.01 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.7 p -113.29 -179.18 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -93.4 -15.05 26.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.519 ' HG2' HG23 ' A' ' 63' ' ' ILE . 4.2 tpm_? -48.95 132.49 18.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.55 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 11.4 tpp180 -149.22 135.53 19.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.504 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.2 t -141.68 154.86 45.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.684 HG22 HD23 ' A' ' 44' ' ' LEU . 47.3 p -99.8 -24.48 14.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' PHE . 32.1 t0 -75.78 101.72 5.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' ASP . 6.2 t80 -37.19 -40.74 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 m -64.58 -49.2 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -60.4 -39.81 88.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.504 ' N ' HG21 ' A' ' 54' ' ' THR . 2.0 t80 -52.39 -44.28 65.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.473 HD23 ' CE2' ' A' ' 60' ' ' PHE . 52.5 mt -71.9 -11.58 60.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.3 t -89.2 -31.43 17.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.519 HG23 ' HG2' ' A' ' 52' ' ' ARG . 88.5 mt -34.07 100.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.16 137.63 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.502 ' C ' HG22 ' A' ' 32' ' ' THR . . . -42.8 142.76 1.57 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.9 p -99.07 -12.77 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.535 HG22 ' N ' ' A' ' 68' ' ' LYS . 32.0 m -111.77 161.48 16.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.535 ' N ' HG22 ' A' ' 67' ' ' THR . 12.6 mmtp -123.18 147.14 47.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.2 -152.36 12.04 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.377 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -107.75 130.27 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.736 0.303 . . . . 0.0 110.9 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.618 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 76.9 m-70 -46.88 136.01 8.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.44 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 16.9 m-20 -92.02 108.77 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 p -81.37 6.09 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -106.8 127.2 53.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.582 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 36.8 mttm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.837 0.351 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.06 100.58 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 15.3 mt -79.33 142.28 36.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.679 HD22 ' NH1' ' A' ' 20' ' ' ARG . 2.1 tp -85.54 122.55 29.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.645 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.0 t -77.93 126.9 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 93.2 m-85 -102.99 6.95 39.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.849 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.492 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 90.3 m-20 -73.51 131.57 41.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -53.7 131.26 38.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.89 -21.63 44.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.503 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.34 -71.59 0.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.829 0.347 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.04 16.38 1.87 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -109.03 169.99 8.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.679 ' NH1' HD22 ' A' ' 11' ' ' LEU . 15.2 mmt-85 -81.15 174.69 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.623 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 40.7 p90 -172.67 164.27 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.486 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 56.1 m-20 -111.76 126.18 28.98 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.633 0.73 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -35.47 12.55 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -13.2 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.486 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -128.19 -27.9 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 27' ' ' SER . 63.4 t-20 -34.04 139.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.477 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 5.8 m -142.06 -178.47 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -78.33 -5.85 53.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -134.46 36.61 3.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.23 -13.56 9.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.5 t -117.16 128.8 55.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.485 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -116.05 96.32 5.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.487 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 36.8 p90 -124.2 -175.75 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.526 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.3 m-70 -117.24 108.53 43.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 3.26 2.91 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.68 2.253 . . . . 0.0 112.366 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.82 -148.56 20.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.09 155.21 76.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 111.171 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.6 Cg_endo -69.72 117.79 5.29 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.718 2.279 . . . . 0.0 112.414 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.43 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -114.5 152.55 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.185 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.43 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -136.52 95.86 3.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.519 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 9.5 p80 -122.48 130.6 53.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 4.6 m-20 54.97 39.49 31.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.87 8.44 6.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.691 HD23 ' CG2' ' A' ' 55' ' ' THR . 9.1 mt -101.26 100.08 10.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -82.63 119.98 24.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.97 -148.66 4.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.42 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 53.5 m95 -140.83 149.03 41.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.809 0.338 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -79.38 11.01 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.3 p -98.8 -43.42 6.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -120.97 179.57 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -91.24 -18.14 24.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.8 ' HG2' HG23 ' A' ' 63' ' ' ILE . 11.9 tpt180 -46.16 125.25 6.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.519 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.3 tpp180 -142.31 127.67 18.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.602 HG21 ' N ' ' A' ' 60' ' ' PHE . 14.2 t -135.45 151.6 50.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.691 ' CG2' HD23 ' A' ' 44' ' ' LEU . 65.4 p -97.4 -23.24 16.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' ASP . 14.0 t0 -78.12 105.81 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.881 ' CZ ' HD11 ' A' ' 61' ' ' LEU . 19.6 t80 -40.14 -37.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -66.0 -39.44 90.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.788 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' ASP . 73.8 m-20 -71.4 -40.58 70.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.823 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.602 ' N ' HG21 ' A' ' 54' ' ' THR . 2.7 t80 -53.07 -42.94 66.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.881 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 4.3 mt -75.62 -13.04 60.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 t -90.51 -28.13 18.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.796 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.8 HG23 ' HG2' ' A' ' 52' ' ' ARG . 73.5 mt -35.59 102.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.1 p -58.79 137.28 21.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.526 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.45 142.91 4.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.464 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.4 p -98.08 -10.89 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.623 HG22 ' N ' ' A' ' 68' ' ' LYS . 95.6 m -111.78 164.75 12.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.623 ' N ' HG22 ' A' ' 67' ' ' THR . 9.0 mmtp -127.84 144.03 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.96 -154.98 15.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -103.49 126.86 50.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.623 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 73.2 m-70 -46.06 134.88 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 30.5 p-10 -90.88 110.12 21.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.2 t -82.19 18.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -142.25 128.46 19.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.56 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.8 ptp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.762 0.315 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.05 101.93 8.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.7 mt -82.25 135.84 35.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.4 tp -79.89 129.16 34.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.659 ' N ' HD12 ' A' ' 11' ' ' LEU . 13.6 t -85.74 138.05 32.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 96.5 m-85 -113.74 11.59 18.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.867 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 87.1 m-20 -77.2 125.36 29.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -45.6 128.42 8.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.78 -22.29 41.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.25 -71.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.908 0.385 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.22 19.38 0.64 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -112.94 171.34 7.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.587 ' NH1' HD22 ' A' ' 11' ' ' LEU . 22.0 mmt-85 -80.39 173.25 12.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.617 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 38.2 p90 -171.74 164.64 6.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -106.82 128.1 26.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -44.0 2.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -11.49 12.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 p -120.61 -23.73 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 27' ' ' SER . 55.5 t-20 -41.07 140.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.478 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 4.4 m -144.81 162.93 35.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -7.36 6.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 29' ' ' ASP . 48.6 p30 -133.44 38.89 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.27 -12.03 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 44.7 t -117.21 122.59 44.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -111.12 97.1 6.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.483 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 24.4 p90 -124.97 -175.73 3.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.567 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.1 m-70 -116.98 105.95 48.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.606 0.717 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 3.11 2.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.49 -147.43 20.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.95 155.26 76.4 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.62 0.724 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.4 Cg_endo -69.79 122.06 8.74 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.4 151.96 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.414 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -136.73 96.04 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.481 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 10.2 p80 -122.28 130.99 53.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 5.3 m-20 54.79 38.58 30.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 71.45 2.62 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.826 HD23 HG22 ' A' ' 55' ' ' THR . 8.1 mt -95.98 104.18 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -86.75 119.95 27.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.43 -148.2 4.69 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.405 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 56.7 m95 -140.99 149.87 42.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.4 p -79.92 12.15 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 p -98.71 -44.07 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 p -120.27 -177.49 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -92.68 -21.28 20.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.789 ' HG2' HG23 ' A' ' 63' ' ' ILE . 26.0 tpt180 -42.35 136.39 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.481 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.9 tpp180 -152.35 137.73 17.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.513 HG21 ' CB ' ' A' ' 59' ' ' ASP . 15.0 t -148.66 148.62 30.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.826 HG22 HD23 ' A' ' 44' ' ' LEU . 11.6 p -90.53 -29.44 17.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 59' ' ' ASP . 15.2 t0 -72.44 108.69 5.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.896 ' CZ ' HD11 ' A' ' 61' ' ' LEU . 24.5 t80 -43.28 -34.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.7 m -66.73 -37.68 85.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.513 ' CB ' HG21 ' A' ' 54' ' ' THR . 4.4 m-20 -69.74 -43.26 72.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.481 ' N ' HG21 ' A' ' 54' ' ' THR . 1.4 t80 -53.97 -32.77 54.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.896 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 8.3 mt -85.03 -9.94 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.2 t -97.57 -29.51 13.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.789 HG23 ' HG2' ' A' ' 52' ' ' ARG . 71.6 mt -34.19 104.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 45.8 t -59.65 130.33 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.053 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -41.48 143.84 0.83 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.9 p -98.7 -10.53 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.929 0.395 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.601 HG22 ' N ' ' A' ' 68' ' ' LYS . 86.4 m -111.51 163.98 13.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.178 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.601 ' N ' HG22 ' A' ' 67' ' ' THR . 29.8 mmtt -126.94 143.34 51.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.14 -152.17 10.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -108.2 126.42 52.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 110.796 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.617 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 69.1 m-70 -44.58 132.61 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 29.6 p-10 -89.46 105.68 17.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t -77.1 4.18 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -128.72 126.26 39.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 2.1 mmmp? . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.1 ptp . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.863 0.363 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.08 102.15 9.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 10.9 mt -83.33 138.09 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.0 tp -79.94 119.43 22.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.568 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.8 t -68.2 145.43 54.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' ASN . 73.1 m-85 -125.52 37.19 4.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.485 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 83.8 m-20 -107.7 124.96 50.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -45.63 119.33 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.48 -18.85 32.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 t -108.67 -71.15 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.72 18.55 0.69 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.562 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -108.05 169.53 8.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.857 0.36 . . . . 0.0 110.812 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -78.65 171.04 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.635 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 47.0 p90 -170.16 168.5 8.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.485 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 30.2 m-20 -113.41 124.98 30.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.62 0.724 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -37.83 8.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.611 2.207 . . . . 0.0 112.374 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HG3' HG22 ' A' ' 25' ' ' THR . 19.4 pt-20 -53.9 -16.68 1.95 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -127.04 -25.28 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -40.01 127.64 2.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.82 -170.23 2.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 0.7 OUTLIER -81.78 -0.81 44.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -135.83 33.29 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.85 -14.15 10.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.568 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 51.0 t -116.93 131.58 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.568 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -119.28 98.6 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.485 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 27.4 p90 -125.71 -175.75 3.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.565 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.4 m-70 -117.51 106.79 45.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.488 0.661 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.44 2.75 Favored 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.665 2.243 . . . . 0.0 112.364 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.36 -149.61 22.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.95 155.17 76.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.661 0.743 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.2 Cg_endo -69.82 122.01 8.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -122.85 131.63 72.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.43 95.72 4.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.418 ' NE2' ' HD2' ' A' ' 53' ' ' ARG . 3.4 p80 -122.78 131.53 53.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.557 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 6.3 m-20 55.31 36.22 26.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 74.68 5.6 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.597 HD23 HG22 ' A' ' 55' ' ' THR . 10.5 mt -98.68 101.54 12.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -92.97 117.02 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.68 -147.54 4.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.425 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 30.3 m95 -138.0 145.81 42.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.68 0.276 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.7 p -76.42 6.82 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.3 p -91.42 -39.85 11.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 p -122.75 175.51 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.411 ' HB2' ' NZ ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -86.81 -22.12 26.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.739 ' HG2' HG23 ' A' ' 63' ' ' ILE . 10.6 tpt180 -44.64 135.63 4.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' CG ' ' HB3' ' A' ' 44' ' ' LEU . 2.3 tpp85 -151.42 129.29 11.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.478 HG21 ' N ' ' A' ' 60' ' ' PHE . 14.4 t -129.05 162.32 27.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.597 HG22 HD23 ' A' ' 44' ' ' LEU . 71.9 p -109.85 -6.57 15.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 59' ' ' ASP . 2.7 m-20 -100.12 114.66 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -43.62 -41.48 4.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.5 t -64.51 -32.93 74.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' ASP . 34.9 m-20 -73.14 -40.08 65.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.579 ' CE2' HD23 ' A' ' 61' ' ' LEU . 1.2 t80 -52.76 -35.8 56.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.579 HD23 ' CE2' ' A' ' 60' ' ' PHE . 1.0 OUTLIER -83.38 -10.98 58.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.1 t -90.48 -33.44 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.739 HG23 ' HG2' ' A' ' 52' ' ' ARG . 88.3 mt -36.61 104.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' GLY . 1.4 p -61.91 130.16 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.568 ' C ' HG22 ' A' ' 32' ' ' THR . . . -38.3 144.18 0.23 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.5 p -99.02 -17.37 18.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.585 HG22 ' N ' ' A' ' 68' ' ' LYS . 88.4 m -103.74 163.07 12.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.585 ' N ' HG22 ' A' ' 67' ' ' THR . 30.5 mmtt -126.36 141.34 51.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.29 -153.81 11.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -103.66 131.38 50.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.635 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 68.3 m-70 -51.46 135.41 27.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.451 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 19.7 m-20 -91.76 102.79 15.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.7 t -71.18 -2.89 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.418 ' N ' ' CD ' ' A' ' 74' ' ' GLU . 9.0 mp0 -124.67 151.99 44.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.928 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.79 0.328 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.0 98.85 6.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.0 mt -79.29 142.76 35.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 12' ' ' CYS . 6.8 tp -85.92 118.88 25.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.428 ' N ' HD12 ' A' ' 11' ' ' LEU . 13.2 t -71.6 137.78 48.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 93.8 m-85 -118.28 31.65 6.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.566 ' ND2' ' H ' ' A' ' 72' ' ' ASN . 86.0 m-20 -100.5 125.54 46.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -45.52 122.53 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.23 -25.22 24.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.62 -71.07 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.27 18.39 0.86 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -111.9 161.18 16.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -71.06 172.5 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.629 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 41.6 p90 -170.26 165.94 8.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.489 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 26.8 m-20 -112.72 125.82 29.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.661 0.743 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.28 7.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -53.21 -15.77 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.489 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.9 -27.43 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 -179.885 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 27' ' ' SER . 61.1 t-20 -36.07 136.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.422 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 4.6 m -142.59 179.34 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.44 -3.82 32.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -134.51 36.76 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.76 -14.52 8.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.2 t -117.13 122.23 43.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.563 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -111.1 97.17 6.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.144 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.482 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 27.4 p90 -123.54 -175.75 3.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.564 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.9 m-70 -117.15 106.29 47.51 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.535 0.683 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.83 -147.5 20.84 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.541 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.1 155.19 76.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.688 0.756 . . . . 0.0 111.091 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.3 Cg_endo -69.77 121.25 7.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.75 2.3 . . . . 0.0 112.262 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -118.3 151.9 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.414 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -136.68 96.03 3.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.467 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 12.2 p80 -122.18 130.43 53.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.511 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 2.0 m-20 54.74 38.54 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 72.28 -0.07 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.605 HD23 HG22 ' A' ' 55' ' ' THR . 7.6 mt -93.18 103.54 15.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -87.02 120.38 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.74 -148.07 4.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.413 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 55.9 m95 -141.19 150.03 42.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.8 t -80.0 12.2 2.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 p -99.12 -41.27 7.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.0 p -124.67 -178.56 4.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' ARG . 11.8 mtmt -89.44 -27.92 20.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.754 ' HG2' HG23 ' A' ' 63' ' ' ILE . 8.2 tpm_? -35.36 133.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.467 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.1 tpp180 -151.33 128.75 11.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.549 HG21 ' N ' ' A' ' 60' ' ' PHE . 14.7 t -138.68 150.35 46.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.605 HG22 HD23 ' A' ' 44' ' ' LEU . 75.3 p -93.95 -28.51 15.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' SER . 15.0 t0 -69.88 101.58 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' ASP . 81.4 t80 -35.82 -31.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 56' ' ' ASP . 98.7 p -72.44 -53.25 12.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.495 ' C ' HG21 ' A' ' 54' ' ' THR . 1.0 OUTLIER -56.21 -33.49 65.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.549 ' N ' HG21 ' A' ' 54' ' ' THR . 2.4 t80 -60.6 -38.69 85.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.799 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.426 HD23 ' CE2' ' A' ' 60' ' ' PHE . 2.0 mt -81.66 -7.63 59.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.4 t -96.99 -29.8 13.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.754 HG23 ' HG2' ' A' ' 52' ' ' ARG . 71.1 mt -34.04 104.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.3 p -57.18 134.99 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.084 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.564 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -45.52 145.02 2.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 p -98.26 -12.62 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.592 HG22 ' N ' ' A' ' 68' ' ' LYS . 93.4 m -109.78 163.09 13.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.592 ' N ' HG22 ' A' ' 67' ' ' THR . 37.7 mmtt -126.09 143.55 51.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.9 -154.32 13.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -104.69 130.94 52.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.323 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.629 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 78.5 m-70 -47.42 134.39 11.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.566 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 7.3 m-20 -89.74 108.34 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.1 p -82.47 10.44 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -121.69 144.54 48.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.474 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 41.9 mtmt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.64 100.34 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.3 mt -81.21 138.42 35.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.655 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.3 tp -79.85 121.67 25.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.655 ' N ' HD12 ' A' ' 11' ' ' LEU . 38.2 t -73.45 139.05 45.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.468 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 66.2 m-85 -122.09 40.63 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.52 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 83.9 m-20 -109.11 120.38 42.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -41.42 118.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.3 -11.66 39.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 t -117.46 -71.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.378 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.75 18.67 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.414 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -106.88 166.9 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.472 ' NH1' HD22 ' A' ' 11' ' ' LEU . 16.7 mmt-85 -76.34 173.89 10.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.644 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 29.9 p90 -172.75 165.15 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.487 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 3.5 m-20 -112.33 125.21 30.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.552 0.691 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -37.34 9.22 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.719 2.279 . . . . 0.0 112.293 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.24 -18.18 3.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -124.63 -20.4 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.495 ' OD1' ' NE ' ' A' ' 70' ' ' ARG . 21.2 t-20 -34.21 146.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.475 ' OG ' ' HB2' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -148.48 165.07 32.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.89 -1.27 9.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 29' ' ' ASP . 43.8 p30 -136.37 26.21 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.797 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.475 ' HB2' ' OG ' ' A' ' 27' ' ' SER . . . -106.49 -13.74 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.3 t -117.2 126.7 53.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.546 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -115.35 99.32 7.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.52 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 27.7 p90 -124.62 -175.77 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.529 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.7 m-70 -116.78 106.8 47.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 34' ' ' HIS . 54.5 Cg_endo -69.68 2.83 3.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.95 -147.56 20.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.03 155.23 76.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.509 0.671 . . . . 0.0 111.199 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.78 121.59 8.27 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -118.83 152.1 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.421 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.64 96.12 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.509 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 9.4 p80 -122.25 130.26 53.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.0 OUTLIER 54.97 39.96 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 69.14 7.0 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.927 HD23 HG22 ' A' ' 55' ' ' THR . 10.4 mt -100.05 101.82 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -84.16 120.56 26.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.1 -148.3 4.71 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.412 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 54.6 m95 -141.71 149.6 40.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.772 0.32 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.6 p -79.79 11.91 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.9 p -98.79 -43.78 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.3 p -121.1 -178.38 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -91.18 -22.46 20.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.787 ' HG2' HG23 ' A' ' 63' ' ' ILE . 17.5 tpt180 -40.93 134.13 2.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.509 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.4 tpp180 -150.85 128.71 11.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.63 HG21 ' N ' ' A' ' 60' ' ' PHE . 13.3 t -138.4 143.56 39.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.199 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.927 HG22 HD23 ' A' ' 44' ' ' LEU . 33.9 p -86.67 -27.91 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -73.57 106.28 5.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -40.86 -33.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -67.41 -47.37 70.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.444 ' C ' HG21 ' A' ' 54' ' ' THR . 20.1 m-20 -61.67 -42.37 98.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.63 ' N ' HG21 ' A' ' 54' ' ' THR . 1.9 t80 -52.67 -40.25 62.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.554 HD23 ' CE2' ' A' ' 60' ' ' PHE . 14.2 mt -79.13 -7.3 58.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.6 t -99.98 -27.91 13.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.787 HG23 ' HG2' ' A' ' 52' ' ' ARG . 61.6 mt -34.12 102.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -55.54 128.83 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.546 ' C ' HG22 ' A' ' 32' ' ' THR . . . -39.87 144.32 0.42 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.7 p -98.63 -14.16 20.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.624 HG22 ' N ' ' A' ' 68' ' ' LYS . 90.3 m -107.59 165.26 11.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.624 ' N ' HG22 ' A' ' 67' ' ' THR . 23.1 mmtt -127.0 140.57 52.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.85 -156.74 16.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.495 ' NE ' ' OD1' ' A' ' 26' ' ' ASN . 27.0 mtp180 -104.1 133.09 49.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.644 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 72.4 m80 -49.12 134.86 17.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.455 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 2.1 m120 -91.58 107.89 19.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.8 p -80.73 9.97 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -131.51 134.91 46.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 6.9 mtpm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 ptp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.865 0.364 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.96 99.56 7.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.2 mt -80.39 137.66 36.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.7 tp -79.75 126.59 31.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.7 ' N ' HD12 ' A' ' 11' ' ' LEU . 11.0 t -74.95 142.83 43.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' ASN . 74.1 m-85 -122.28 35.37 4.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 82.1 m-20 -107.17 125.69 51.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -47.06 126.32 8.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.65 -19.63 49.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -109.01 -70.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.36 17.99 0.81 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -105.43 167.99 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.319 . . . . 0.0 110.952 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.629 ' NH1' HD22 ' A' ' 11' ' ' LEU . 22.6 mmt-85 -76.6 174.5 10.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.668 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 42.4 p90 -172.57 163.36 5.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' ASN . 5.7 m-20 -104.4 128.2 27.49 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.667 0.746 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -44.1 2.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.732 2.288 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -13.26 45.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -119.89 -17.01 8.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 27' ' ' SER . 28.3 t-20 -46.29 141.19 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.484 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 73.8 m -145.44 169.32 18.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -69.46 -7.37 37.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -131.63 35.41 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.41 -14.31 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.8 t -117.09 130.22 56.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.556 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -118.1 99.37 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.48 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 34.5 p90 -125.27 -175.79 3.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.964 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.506 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.6 m-70 -117.03 108.22 44.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.77 3.25 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.736 2.291 . . . . 0.0 112.304 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.67 -149.66 21.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.73 155.15 76.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.74 . . . . 0.0 111.131 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.84 114.33 3.68 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.38 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.441 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -113.13 153.59 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.441 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.55 95.92 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.552 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.3 129.25 51.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 2.7 m-20 54.84 42.22 31.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.45 6.28 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.759 HD23 HG22 ' A' ' 55' ' ' THR . 9.7 mt -98.98 98.77 9.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -84.53 116.73 23.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.21 -151.44 5.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.414 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 64.6 m95 -135.1 149.69 50.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.733 0.301 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.3 t -79.75 11.74 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 p -99.26 -50.36 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 p -112.5 176.13 5.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -88.06 -18.0 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.643 ' HG2' HG23 ' A' ' 63' ' ' ILE . 8.2 tpt180 -45.25 139.35 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.552 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 11.5 tpp180 -153.65 143.02 21.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.589 HG21 ' N ' ' A' ' 60' ' ' PHE . 12.3 t -153.71 150.39 28.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.759 HG22 HD23 ' A' ' 44' ' ' LEU . 4.0 p -97.08 -25.26 15.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 59' ' ' ASP . 25.6 t0 -75.0 100.98 4.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.773 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.948 ' CZ ' HD11 ' A' ' 61' ' ' LEU . 43.6 t80 -35.54 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 56' ' ' ASP . 47.5 t -67.49 -47.32 70.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 56' ' ' ASP . 37.4 m-20 -63.82 -40.99 97.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.589 ' N ' HG21 ' A' ' 54' ' ' THR . 7.8 t80 -52.79 -45.73 67.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.948 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 12.6 mt -73.83 -16.58 61.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -88.1 -33.88 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.643 HG23 ' HG2' ' A' ' 52' ' ' ARG . 91.6 mt -34.03 98.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.409 HG12 ' H ' ' A' ' 64' ' ' VAL . 1.0 OUTLIER -57.2 148.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.556 ' C ' HG22 ' A' ' 32' ' ' THR . . . -53.4 144.13 25.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.529 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.4 p -98.92 -16.81 18.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 68' ' ' LYS . 89.5 m -105.83 164.03 12.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.6 ' N ' HG22 ' A' ' 67' ' ' THR . 16.2 mmtp -125.69 144.44 50.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.78 -154.26 13.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.0 mtm105 -105.43 128.31 53.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.668 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 71.8 m-70 -47.1 137.82 7.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.468 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 27.8 m-20 -93.99 104.7 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.7 p -74.36 1.9 10.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -126.36 146.53 50.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.777 0.323 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.88 107.0 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' A' ' 21' ' ' PHE . 7.3 mt -90.2 142.57 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.2 tp -79.85 120.64 24.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.556 ' N ' HD12 ' A' ' 11' ' ' LEU . 22.7 t -70.17 146.31 50.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' ASN . 52.2 m-85 -125.61 43.18 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.51 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 87.4 m-20 -117.72 123.09 45.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -41.84 121.91 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.3 -14.71 51.14 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' GLN . 1.3 t -115.01 -70.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.813 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.13 22.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' CYS . 0.8 OUTLIER -114.55 162.63 16.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.3 . . . . 0.0 110.97 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mmm-85 -64.2 172.41 2.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 71' ' ' HIS . 40.4 p90 -172.7 166.27 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.484 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 1.2 m-20 -109.19 119.7 47.79 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -38.11 8.05 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.64 2.227 . . . . 0.0 112.327 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -51.69 -17.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.484 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.72 -27.45 3.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' THR . 54.4 t-20 -35.25 125.05 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.531 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 46.4 m -135.51 173.41 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -7.52 7.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -130.69 36.04 3.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.531 ' HB3' ' H ' ' A' ' 27' ' ' SER . . . -121.4 -14.54 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.553 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 40.6 t -117.21 129.56 56.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.441 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -115.11 103.65 11.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.095 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.51 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 47.6 p90 -131.33 -175.83 3.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.511 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.4 m-70 -117.42 110.21 41.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.668 0.747 . . . . 0.0 110.816 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 1.72 4.22 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.617 2.211 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.86 -149.52 22.45 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.454 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.24 155.09 76.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.735 0.779 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.6 Cg_endo -69.72 114.05 3.57 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.6 146.5 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -129.32 95.95 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.55 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.5 p80 -122.5 130.1 52.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.6 m-20 54.08 40.85 32.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.94 1.49 3.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.534 HD23 HG22 ' A' ' 55' ' ' THR . 6.1 mt -95.31 96.51 9.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -82.59 116.53 22.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.51 -151.66 5.48 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.445 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.404 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 67.2 m95 -134.76 149.86 50.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.737 0.303 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.7 p -79.88 12.08 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.2 p -101.01 -49.83 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -112.14 -178.41 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.29 -19.78 21.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.715 ' HG2' HG23 ' A' ' 63' ' ' ILE . 13.4 tpt180 -42.26 136.5 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.55 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.1 tpp180 -153.57 131.36 11.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.656 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.3 t -139.44 149.8 44.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.534 HG22 HD23 ' A' ' 44' ' ' LEU . 33.2 p -92.87 -24.53 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -79.01 108.78 12.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.541 ' CE2' HD11 ' A' ' 61' ' ' LEU . 78.1 t80 -43.23 -30.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 p -70.13 -43.9 70.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.447 ' C ' HG21 ' A' ' 54' ' ' THR . 5.6 m-20 -67.61 -39.84 84.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.656 ' N ' HG21 ' A' ' 54' ' ' THR . 2.3 t80 -52.7 -42.26 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.541 HD11 ' CE2' ' A' ' 57' ' ' PHE . 32.0 mt -76.07 -20.99 57.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.1 t -82.15 -29.96 31.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.715 HG23 ' HG2' ' A' ' 52' ' ' ARG . 82.0 mt -35.31 102.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 64' ' ' VAL . 1.5 p -60.15 138.65 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.511 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.05 143.52 4.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.6 p -98.75 -13.8 20.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.605 HG22 ' N ' ' A' ' 68' ' ' LYS . 86.2 m -109.53 164.78 12.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.605 ' N ' HG22 ' A' ' 67' ' ' THR . 13.6 mmtp -126.31 143.51 51.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.3 -152.9 10.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.46 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -108.4 129.2 55.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 70.5 m-70 -46.49 130.45 11.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 13' ' ' TYR . 9.9 m-20 -85.81 99.03 11.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.0 t -73.97 2.43 8.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' HA ' ' HZ3' ' A' ' 75' ' ' LYS . 98.6 mt-10 -139.87 121.19 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.459 ' HZ3' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.453 ' O ' ' CD ' ' A' ' 23' ' ' PRO . 8.2 ptp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.821 0.343 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.67 96.46 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.1 mt -79.78 138.04 37.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.2 tp -79.77 122.82 27.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.612 ' N ' HD12 ' A' ' 11' ' ' LEU . 22.7 t -73.37 145.98 45.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -125.41 33.23 5.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.491 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 85.1 m-20 -100.27 129.93 46.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -50.2 116.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.93 -15.06 37.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.35 -70.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.958 0.408 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.87 19.08 0.47 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -107.92 167.01 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -75.88 172.74 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 38.1 p90 -172.28 164.1 5.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.8 OUTLIER -107.43 128.59 25.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 0.0 110.862 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.453 ' CD ' ' O ' ' A' ' 8' ' ' MET . 53.5 Cg_endo -69.79 -43.62 2.53 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -62.58 -12.08 20.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 p -122.61 -18.99 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 22' ' ' ASP . 64.0 t-20 -50.16 137.43 17.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.433 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 6.1 m -143.4 -175.32 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.78 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -78.04 -5.44 51.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -133.09 35.27 3.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.76 -14.56 9.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 32.4 t -116.96 131.23 57.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -117.87 100.09 7.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.491 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 31.6 p90 -127.32 -175.79 3.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.537 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.0 m-70 -117.62 106.85 45.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.88 3.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.351 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.0 -148.1 20.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.34 155.89 75.46 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.568 0.699 . . . . 0.0 111.123 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.76 104.93 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.27 . . . . 0.0 112.319 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -101.77 145.17 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.111 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -137.15 94.79 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.476 ' CE1' HH11 ' A' ' 53' ' ' ARG . 8.5 p80 -123.27 134.43 54.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.807 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.4 OUTLIER 52.72 44.18 30.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 66.78 2.81 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 41' ' ' HIS . 5.1 mt -96.36 98.22 10.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 10.7 mtmm -93.24 128.12 39.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.48 ' C ' ' CD1' ' A' ' 47' ' ' TRP . . . -158.08 -122.52 0.69 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.501 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.48 ' CD1' ' C ' ' A' ' 46' ' ' GLY . 68.5 m95 -158.2 146.71 18.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.9 t -79.53 10.92 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 p -99.55 -38.69 8.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 p -129.13 172.05 11.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -79.16 5.56 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.845 ' HG3' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -60.55 118.33 6.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.476 HH11 ' CE1' ' A' ' 41' ' ' HIS . 0.3 OUTLIER -154.19 124.2 6.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.4 ' CG2' HH12 ' A' ' 52' ' ' ARG . 2.8 t -128.73 161.48 29.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.7 p -97.28 5.77 49.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.12 138.27 49.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -71.35 -49.17 45.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -60.27 -31.02 69.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.803 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -75.7 -33.5 60.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -52.77 -39.85 62.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.95 -23.08 59.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -69.49 -29.84 67.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.845 HG23 ' HG3' ' A' ' 52' ' ' ARG . 71.1 mt -42.11 129.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.462 ' O ' ' CE1' ' A' ' 34' ' ' HIS . 38.8 t -98.54 146.01 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.642 ' O ' HG22 ' A' ' 32' ' ' THR . . . -46.02 137.37 7.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.531 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.4 p -97.73 -10.89 24.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.942 0.401 . . . . 0.0 110.919 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.61 HG22 ' N ' ' A' ' 68' ' ' LYS . 91.4 m -108.8 165.06 11.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.61 ' N ' HG22 ' A' ' 67' ' ' THR . 15.9 mmtp -125.66 141.88 51.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.16 -149.09 7.57 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -108.68 128.25 54.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.575 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 83.0 m-70 -49.39 141.39 9.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' ND2' ' OD1' ' A' ' 14' ' ' ASN . 60.3 m-20 -99.16 108.11 20.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 p -81.75 9.37 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -122.71 122.83 39.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.2 mttt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.7 ptp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.735 0.302 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.47 102.66 7.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.7 mt -81.7 143.13 32.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.723 HD12 ' N ' ' A' ' 12' ' ' CYS . 1.8 tp -83.91 122.52 28.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.723 ' N ' HD12 ' A' ' 11' ' ' LEU . 41.9 t -74.78 133.45 41.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.584 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 89.9 m-85 -114.45 27.15 9.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.502 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 86.0 m-20 -95.36 123.32 38.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.413 ' NH2' ' HG3' ' A' ' 38' ' ' PRO . 14.8 mtp180 -44.39 125.42 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.55 -3.34 57.71 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.79 -72.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.79 20.25 1.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.35 166.36 11.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.723 0.297 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -75.88 173.59 10.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.649 ' CB ' ' CD2' ' A' ' 71' ' ' HIS . 35.9 p90 -172.81 164.4 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.478 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 94.4 m-20 -111.96 126.0 29.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -30.95 21.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.414 ' HG3' HG22 ' A' ' 25' ' ' THR . 0.4 OUTLIER -63.35 -13.4 38.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.6 -25.27 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 25' ' ' THR . 57.4 t-20 -34.15 136.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.418 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 7.0 m -145.32 171.99 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -1.52 8.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -137.44 39.19 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.67 -12.92 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.061 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 t -117.2 125.61 51.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.552 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -111.8 95.86 5.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.171 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.502 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 28.1 p90 -124.41 -175.05 3.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.459 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.7 m-70 -120.5 107.5 38.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.596 0.712 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 3.19 2.9 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.62 -148.06 20.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.475 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.24 156.21 75.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.682 0.753 . . . . 0.0 111.116 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HG3' ' NH2' ' A' ' 15' ' ' ARG . 53.8 Cg_endo -69.71 116.44 4.56 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.665 2.243 . . . . 0.0 112.304 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -112.39 151.85 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.79 95.88 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.492 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 12.6 p80 -122.42 130.52 53.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.496 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 2.3 m-20 54.74 38.74 30.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 71.74 1.33 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.693 HD23 HG22 ' A' ' 55' ' ' THR . 9.7 mt -94.26 99.67 11.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 14.1 mttp -84.3 118.93 24.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.22 -146.47 4.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -139.76 147.4 40.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.718 0.294 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -79.45 11.29 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.7 p -97.16 -41.25 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -122.48 -177.07 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -93.3 -18.37 22.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.823 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.749 ' HG2' HG23 ' A' ' 63' ' ' ILE . 15.1 tpt180 -45.61 135.5 6.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.492 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.0 tpp180 -153.03 131.01 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.537 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.4 t -134.87 149.37 50.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.693 HG22 HD23 ' A' ' 44' ' ' LEU . 18.5 p -93.55 -17.5 23.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -87.39 114.95 24.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -46.79 -42.6 17.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -46.09 89.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -65.0 -40.14 94.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.615 ' CE2' HD23 ' A' ' 61' ' ' LEU . 4.8 t80 -49.24 -44.62 43.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.615 HD23 ' CE2' ' A' ' 60' ' ' PHE . 6.7 mt -77.07 -11.33 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.6 t -90.26 -30.49 17.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.749 HG23 ' HG2' ' A' ' 52' ' ' ARG . 79.2 mt -34.08 100.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.3 p -56.37 134.63 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.552 ' C ' HG22 ' A' ' 32' ' ' THR . . . -41.21 143.88 0.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.461 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.1 p -99.06 -18.35 17.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.593 HG22 ' N ' ' A' ' 68' ' ' LYS . 62.8 m -106.0 163.74 12.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.593 ' N ' HG22 ' A' ' 67' ' ' THR . 22.8 mmtt -126.41 140.36 52.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.5 -149.19 7.71 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -106.92 133.95 50.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.649 ' CD2' ' CB ' ' A' ' 21' ' ' PHE . 97.3 m-70 -46.34 173.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.475 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . 0.9 OUTLIER -128.95 106.18 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.4 t -82.18 3.89 25.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.47 155.3 39.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.584 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 ptp . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.856 0.36 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.12 102.84 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 10.0 mt -82.71 137.54 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.3 tp -79.88 119.77 23.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.539 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.4 t -68.04 144.49 55.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' ASN . 70.8 m-85 -124.1 36.85 4.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.511 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 85.8 m-20 -106.11 128.1 53.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.81 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -48.62 117.47 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.74 -23.14 22.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 t -103.17 -71.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.19 19.8 0.71 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -108.14 167.49 9.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.916 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -76.84 170.97 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.658 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 43.8 p90 -170.31 166.84 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.483 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 13.0 m-20 -113.37 125.34 29.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.63 10.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.668 2.246 . . . . 0.0 112.309 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -14.83 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -127.39 -26.89 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.143 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' THR . 62.2 t-20 -34.34 135.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.407 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 33.9 m -142.67 179.82 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -74.45 -4.56 37.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -135.47 39.82 2.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.3 -14.5 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 35.4 t -117.22 128.88 55.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.41 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -115.59 106.68 14.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.168 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.511 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 23.0 p90 -135.57 -175.75 4.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.57 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.3 m-70 -117.38 106.17 47.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.524 0.678 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 34' ' ' HIS . 54.3 Cg_endo -69.61 3.06 2.92 Favored 'Trans proline' 0 C--O 1.23 0.087 0 C-N-CA 122.727 2.285 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.52 -161.43 24.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.24 155.7 61.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.622 0.725 . . . . 0.0 111.123 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.7 Cg_endo -69.83 123.11 9.76 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.467 HG13 ' NH2' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -125.0 148.71 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.41 95.44 3.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.779 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.508 ' CD2' HH21 ' A' ' 53' ' ' ARG . 4.3 p80 -122.99 135.9 54.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.9 OUTLIER 52.47 44.66 29.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.39 0.63 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.42 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 15.2 mt -94.04 113.03 24.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -104.36 119.56 39.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.422 ' HA3' ' NH1' ' A' ' 53' ' ' ARG . . . -155.26 -146.48 4.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.464 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 49.3 m95 -136.29 147.57 47.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.848 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -69.45 -0.7 6.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.7 p -89.53 -36.42 15.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.3 p -128.08 176.3 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 52' ' ' ARG . 14.4 mmtt -93.5 -26.72 17.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.597 ' HG2' HG23 ' A' ' 63' ' ' ILE . 18.8 tpp180 -33.89 139.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.508 HH21 ' CD2' ' A' ' 41' ' ' HIS . 14.9 mmt-85 -152.74 149.48 28.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 t -152.3 126.22 9.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -66.22 -11.09 47.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -92.41 129.5 38.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -65.93 -35.72 81.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 t -66.89 -54.14 25.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -56.51 -36.57 69.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -51.6 -50.45 60.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.78 -0.03 12.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -100.98 -27.86 13.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.597 HG23 ' HG2' ' A' ' 52' ' ' ARG . 55.0 mt -35.18 115.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.1 t -65.99 129.4 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -39.34 143.83 0.36 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.527 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.5 p -100.52 -12.65 19.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.615 HG22 ' N ' ' A' ' 68' ' ' LYS . 70.9 m -107.34 165.47 11.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.615 ' N ' HG22 ' A' ' 67' ' ' THR . 4.4 mmtm -130.59 140.59 50.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.84 -152.23 9.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -105.68 127.55 53.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.658 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 69.4 m-70 -46.95 133.89 10.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 13' ' ' TYR . 19.6 m-20 -92.17 106.22 18.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.0 t -77.87 5.76 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -130.35 133.42 46.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.821 0.344 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.47 97.73 6.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.0 mt -80.61 139.3 36.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.0 tp -79.8 122.63 26.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.707 ' N ' HD12 ' A' ' 11' ' ' LEU . 25.4 t -73.45 146.95 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.467 ' CD1' ' CD ' ' A' ' 75' ' ' LYS . 54.9 m-85 -127.08 37.14 4.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.484 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 84.7 m-20 -108.02 125.46 51.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.4 mtt-85 -44.2 125.37 4.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.19 -17.84 56.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -110.28 -71.99 0.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.87 19.56 0.35 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -108.09 168.79 9.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.969 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -74.8 173.76 10.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 10' ' ' LEU . 36.2 p90 -172.76 163.68 5.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.489 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 50.9 m-20 -111.03 124.63 32.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.732 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -33.26 17.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.34 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.12 -10.7 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.489 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -129.71 -29.87 2.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 25' ' ' THR . 61.9 t-20 -37.23 138.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.531 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -137.84 -177.32 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.496 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 2.1 t70 -75.54 6.32 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' HA ' ' HB3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -150.54 26.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.531 ' HB3' ' H ' ' A' ' 27' ' ' SER . . . -102.04 -9.46 20.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 34.9 t -117.67 127.42 53.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.544 HG22 ' HA3' ' A' ' 65' ' ' GLY . 3.0 m -110.35 108.77 18.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.484 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 40.2 p90 -135.28 -175.67 4.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.545 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 91.0 m-70 -117.3 108.51 43.58 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.717 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.9 3.1 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.7 2.266 . . . . 0.0 112.372 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.99 -151.53 22.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.82 155.1 78.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.688 0.756 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.454 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.4 Cg_endo -69.79 117.7 5.24 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.691 2.26 . . . . 0.0 112.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -117.13 154.0 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.4 m-85 -136.82 95.73 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.549 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.91 131.5 53.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 18.4 m-20 53.35 40.96 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 66.94 10.53 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.656 HD23 HG22 ' A' ' 55' ' ' THR . 9.5 mt -102.82 94.97 5.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 11.2 mttp -81.28 119.94 24.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.74 -149.75 5.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.454 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 47.8 m95 -137.65 148.45 45.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.787 0.327 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.6 t -79.46 10.55 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.422 ' SG ' ' CB ' ' A' ' 47' ' ' TRP . 3.6 p -95.45 -46.93 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 1.8 p -115.47 179.3 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -93.32 -6.11 48.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.56 ' HG2' HG23 ' A' ' 63' ' ' ILE . 12.9 tpt180 -57.93 135.44 56.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.549 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -153.48 129.89 10.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.0 t -130.48 145.58 51.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.656 HG22 HD23 ' A' ' 44' ' ' LEU . 9.7 p -83.82 -23.35 31.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.74 153.56 32.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 5.8 t80 -83.41 -30.42 27.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t -73.6 -48.65 31.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.7 -42.15 74.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.48 ' CE2' HD23 ' A' ' 61' ' ' LEU . 7.6 t80 -47.44 -46.8 26.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.48 HD23 ' CE2' ' A' ' 60' ' ' PHE . 18.7 mt -73.18 -15.71 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.1 t -85.14 -33.58 22.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.56 HG23 ' HG2' ' A' ' 52' ' ' ARG . 97.7 mt -34.19 99.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.82 135.75 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.545 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -39.88 141.5 0.71 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 29.1 p -95.86 -16.42 21.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.627 HG22 ' N ' ' A' ' 68' ' ' LYS . 91.8 m -110.47 165.54 11.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.627 ' N ' HG22 ' A' ' 67' ' ' THR . 12.9 mmtp -128.43 144.58 51.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 28' ' ' ASP . . . -175.2 -146.86 5.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.497 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 27' ' ' SER . 33.4 mtt180 -109.54 133.1 53.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 31' ' ' CYS . 83.1 m-70 -54.55 134.23 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.46 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 10.4 m-20 -93.38 106.19 18.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.1 p -76.87 4.69 9.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -130.12 131.14 45.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.467 ' CD ' ' CD1' ' A' ' 13' ' ' TYR . 3.3 mmmm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 p -52.88 116.93 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.823 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -165.58 135.96 3.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.05 82.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -138.07 134.78 35.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 0.0 110.877 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -124.29 178.31 5.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.6 31.21 0.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.441 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.442 ' O ' ' CD ' ' A' ' 23' ' ' PRO . 4.3 ptp -130.07 6.81 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.55 99.49 7.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.9 mt -81.02 139.28 35.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.706 HD22 ' NH1' ' A' ' 20' ' ' ARG . 2.2 tp -79.91 124.7 28.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.703 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.8 t -72.69 144.17 47.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 60.4 m-85 -123.8 38.36 4.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.512 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 82.7 m-20 -109.28 127.78 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 -49.12 121.53 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.2 -22.76 30.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -105.11 -71.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.54 17.68 0.8 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -104.12 167.91 9.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.706 ' NH1' HD22 ' A' ' 11' ' ' LEU . 26.4 mmt-85 -77.25 173.96 11.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.678 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 44.0 p90 -172.71 165.55 5.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -107.29 128.85 25.2 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.536 0.684 . . . . 0.0 110.917 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.442 ' CD ' ' O ' ' A' ' 8' ' ' MET . 54.3 Cg_endo -69.76 -43.66 2.53 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.631 2.221 . . . . 0.0 112.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -8.21 17.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -124.59 -20.18 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' ASP . 62.4 t-20 -47.0 141.72 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.451 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 41.0 m -145.93 163.27 35.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -7.59 5.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -131.49 37.31 3.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.87 -16.24 8.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.477 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 43.4 t -114.73 129.52 56.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER -117.74 99.82 7.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.512 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 22.5 p90 -126.82 -175.83 3.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.98 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.561 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.8 m-70 -116.79 105.24 50.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.671 0.748 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.22 2.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.368 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.66 -147.75 21.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.509 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.81 155.13 76.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 111.144 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.422 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 54.3 Cg_endo -69.76 121.75 8.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.655 2.237 . . . . 0.0 112.422 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.425 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.24 152.74 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.051 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.425 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -136.81 95.84 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.501 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 11.0 p80 -122.39 130.43 53.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.0 m-20 54.58 40.47 31.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.02 8.51 6.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.734 HD23 HG22 ' A' ' 55' ' ' THR . 9.4 mt -101.43 99.07 9.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 12.6 mttp -82.22 121.1 26.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.54 -147.68 4.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.422 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 49.5 m95 -141.7 148.68 39.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.715 0.293 . . . . 0.0 110.978 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -79.19 11.23 2.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 p -96.51 -44.0 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 1.8 p -119.97 178.9 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -92.23 -8.67 44.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.658 ' HG2' HG23 ' A' ' 63' ' ' ILE . 6.6 tpm_? -54.64 137.95 42.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.501 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.9 tpp180 -153.67 129.28 10.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.577 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.0 t -134.22 154.82 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.734 HG22 HD23 ' A' ' 44' ' ' LEU . 72.5 p -101.48 -15.23 17.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 58' ' ' SER . 4.9 t70 -85.23 103.63 14.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' ASP . 53.5 t80 -36.91 -29.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 56' ' ' ASP . 5.6 t -72.63 -50.45 25.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 56' ' ' ASP . 19.6 m-20 -57.81 -40.79 80.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.596 ' CE2' HD23 ' A' ' 61' ' ' LEU . 8.8 t80 -51.17 -47.79 62.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.823 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.596 HD23 ' CE2' ' A' ' 60' ' ' PHE . 5.7 mt -75.82 -5.24 44.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -100.52 -31.23 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.658 HG23 ' HG2' ' A' ' 52' ' ' ARG . 83.4 mt -34.26 105.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 p -59.83 137.57 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.96 145.07 4.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.543 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.412 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 28.6 p -98.27 -10.95 23.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.618 HG22 ' N ' ' A' ' 68' ' ' LYS . 90.7 m -110.38 164.53 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.618 ' N ' HG22 ' A' ' 67' ' ' THR . 36.7 mmtt -127.49 142.19 51.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.32 -155.22 13.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -104.62 123.09 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.678 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 68.1 m-70 -40.75 136.21 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 13' ' ' TYR . 2.1 m120 -90.81 108.75 20.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.3 p -79.71 8.69 6.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -136.15 144.52 45.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.522 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 25.1 mtmt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 p -159.27 122.38 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.9 p -148.55 172.35 14.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.12 160.41 9.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -109.6 137.93 46.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.816 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -109.78 143.7 39.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.09 15.76 6.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.448 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 ptp -106.97 6.58 29.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.14 101.17 6.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 14.4 mt -82.48 140.6 33.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.692 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.2 tp -79.79 125.68 30.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.692 ' N ' HD12 ' A' ' 11' ' ' LEU . 12.3 t -80.28 133.63 36.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -113.35 32.2 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.481 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 87.7 m-20 -99.15 122.88 42.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.6 mtm-85 -43.66 127.96 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.77 -19.36 54.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.25 -71.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.37 18.01 0.82 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -110.84 161.34 15.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -70.76 175.74 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.601 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 34.0 p90 -172.75 166.06 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 26' ' ' ASN . 1.5 m-20 -108.45 127.65 27.09 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.565 0.698 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -44.13 2.23 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.317 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.78 -12.63 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -120.62 -20.9 6.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' ASP . 64.4 t-20 -45.8 137.02 5.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -141.25 164.55 29.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -7.69 5.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.796 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -132.18 38.32 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.35 -15.51 7.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.6 t -114.14 125.6 54.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.499 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -114.0 100.55 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.157 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.481 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 34.5 p90 -126.91 -175.77 3.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.567 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.1 m-70 -116.77 106.51 47.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.803 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 2.92 3.07 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.295 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.72 -148.11 20.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.413 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.16 155.23 76.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.584 0.706 . . . . 0.0 111.129 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 54.0 Cg_endo -69.74 120.63 7.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.266 . . . . 0.0 112.279 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -117.9 152.34 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.068 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.423 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.87 95.99 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.533 ' NE2' ' CZ ' ' A' ' 53' ' ' ARG . 10.3 p80 -122.35 130.67 53.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.1 m-20 54.79 40.57 32.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.35 7.63 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.895 HD23 HG22 ' A' ' 55' ' ' THR . 12.3 mt -100.75 101.46 12.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -84.41 120.43 26.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.27 -147.96 4.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.421 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 51.6 m95 -142.0 149.28 39.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.775 0.321 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.4 t -79.65 11.79 2.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 p -97.56 -41.54 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 p -123.92 179.71 4.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -88.83 -23.63 22.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.645 ' HG2' HG23 ' A' ' 63' ' ' ILE . 4.3 tpm_? -40.62 136.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.533 ' CZ ' ' NE2' ' A' ' 41' ' ' HIS . 11.2 tpp180 -153.76 136.91 15.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.606 HG21 ' HB3' ' A' ' 59' ' ' ASP . 12.9 t -146.81 154.32 41.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.895 HG22 HD23 ' A' ' 44' ' ' LEU . 9.1 p -96.36 -30.15 13.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 59' ' ' ASP . 13.2 m-20 -69.84 104.4 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -41.38 -29.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -71.25 -40.71 70.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.606 ' HB3' HG21 ' A' ' 54' ' ' THR . 24.6 t70 -67.42 -43.25 81.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.415 ' N ' HG21 ' A' ' 54' ' ' THR . 1.9 t80 -50.26 -34.98 25.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mt -81.4 -17.67 48.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -86.83 -32.45 20.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.645 HG23 ' HG2' ' A' ' 52' ' ' ARG . 94.8 mt -33.99 102.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.1 t -61.08 136.22 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -44.35 143.7 2.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.2 p -98.41 -9.34 25.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 68' ' ' LYS . 85.3 m -112.78 164.07 13.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.199 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.6 ' N ' HG22 ' A' ' 67' ' ' THR . 11.1 mmtp -126.25 143.87 50.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.59 -152.45 10.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -109.46 124.03 50.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.601 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 68.9 m-70 -42.6 142.62 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.817 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -102.12 108.23 19.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.8 t -79.84 8.1 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -132.81 132.01 41.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -104.11 98.07 7.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.844 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -107.95 6.02 26.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.44 -150.27 6.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.541 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -59.81 148.22 35.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.931 0.396 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -101.61 176.34 5.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.0 40.91 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.8 ptp -117.89 8.75 12.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.13 96.89 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.7 mt -79.28 140.17 37.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 12' ' ' CYS . 6.2 tp -81.88 123.64 29.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.509 ' N ' HD12 ' A' ' 11' ' ' LEU . 29.8 t -75.96 137.46 40.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -118.37 34.74 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.531 ' ND2' ' H ' ' A' ' 72' ' ' ASN . 86.4 m-20 -104.3 122.66 45.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -43.75 125.88 4.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.59 -18.32 53.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.3 -71.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.904 0.383 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.08 18.63 0.84 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -109.37 161.4 15.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.769 0.319 . . . . 0.0 110.938 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -71.57 175.66 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.682 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 35.2 p90 -172.68 164.73 5.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.48 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 0.9 OUTLIER -111.29 125.61 30.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 0.0 110.877 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -39.74 6.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -51.43 -17.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.38 -25.74 3.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' THR . 7.6 t-20 -34.5 140.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.0 m -149.09 169.57 20.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.41 -4.78 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -132.22 35.69 3.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.89 -14.69 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.6 t -117.2 126.48 52.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.576 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -115.06 101.93 9.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.07 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 21.1 p90 -127.91 -175.77 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.562 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.1 m-70 -117.32 105.1 49.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 3.25 2.9 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.27 -147.33 20.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.16 155.22 76.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.76 121.99 8.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.306 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.57 151.92 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.49 95.96 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.512 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 9.6 p80 -122.27 130.21 52.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.3 OUTLIER 55.27 39.31 31.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 69.36 7.38 6.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.705 HD23 HG22 ' A' ' 55' ' ' THR . 9.6 mt -100.35 100.54 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -82.97 119.6 24.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.17 -148.36 4.73 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.408 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 56.4 m95 -141.33 149.75 41.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -80.2 12.68 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 p -98.86 -45.42 6.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.41 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 2.4 p -119.4 -176.68 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -92.58 -21.78 19.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.759 ' HG2' HG23 ' A' ' 63' ' ' ILE . 11.9 tpp180 -41.91 134.52 2.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.512 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.2 tpp180 -151.46 124.69 8.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.605 HG21 ' N ' ' A' ' 60' ' ' PHE . 7.5 t -135.5 145.0 46.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.705 HG22 HD23 ' A' ' 44' ' ' LEU . 72.9 p -90.12 -26.27 20.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 58' ' ' SER . 48.1 t0 -70.94 100.77 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ASP . 47.1 t80 -36.52 -30.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 56' ' ' ASP . 8.5 t -71.47 -48.33 49.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.483 ' C ' HG21 ' A' ' 54' ' ' THR . 45.7 m-20 -61.43 -39.59 91.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.605 ' N ' HG21 ' A' ' 54' ' ' THR . 4.9 t80 -54.39 -40.05 67.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.773 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.445 HD23 ' CE2' ' A' ' 60' ' ' PHE . 37.3 mt -81.86 -3.06 53.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 t -104.36 -28.57 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.759 HG23 ' HG2' ' A' ' 52' ' ' ARG . 68.6 mt -34.05 106.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.181 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.75 133.62 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.576 ' C ' HG22 ' A' ' 32' ' ' THR . . . -45.19 145.61 2.38 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.41 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 28.3 p -98.2 -15.21 19.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.586 HG22 ' N ' ' A' ' 68' ' ' LYS . 98.5 m -106.86 162.76 13.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.098 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.586 ' N ' HG22 ' A' ' 67' ' ' THR . 11.2 mmtp -126.27 143.1 51.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.33 -154.85 13.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -104.13 127.64 51.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.765 0.317 . . . . 0.0 110.945 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.682 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 85.7 m-70 -43.68 135.39 3.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.531 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 12.9 m-20 -87.94 101.75 14.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 p -75.51 0.17 18.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -124.89 156.3 38.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -42.08 110.51 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.891 0.377 . . . . 0.0 110.809 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 p -157.53 108.53 2.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.811 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.8 -111.35 0.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 p -135.2 178.04 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 110.917 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 p -56.55 147.74 21.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.97 16.57 6.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 ptp -108.95 6.74 25.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.773 0.32 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.93 98.53 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.7 mt -79.3 143.57 35.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.5 tp -83.87 124.48 31.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.646 ' N ' HD12 ' A' ' 11' ' ' LEU . 20.2 t -76.63 141.52 41.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -121.73 35.85 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.521 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 85.8 m-20 -105.75 123.64 48.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -43.17 125.91 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.77 -16.91 58.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -109.18 -71.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.4 19.42 0.44 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -109.04 168.32 9.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.586 ' NH1' HD22 ' A' ' 11' ' ' LEU . 26.5 mmt-85 -76.55 174.27 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.598 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 41.0 p90 -172.74 166.07 5.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -108.29 128.28 25.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.563 0.697 . . . . 0.0 110.925 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -43.78 2.47 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.724 2.283 . . . . 0.0 112.357 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -61.99 -10.5 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 p -125.28 -18.41 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' ASP . 40.6 t-20 -56.52 137.78 52.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.453 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -142.1 -170.23 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -82.47 -0.94 48.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -135.91 32.03 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.02 -13.58 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.543 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 43.6 t -117.18 124.82 50.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.512 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -113.75 97.5 6.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.521 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 27.8 p90 -124.01 -175.67 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.564 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.1 m-70 -116.88 106.43 47.82 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 3.41 2.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.61 -147.99 20.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.99 155.22 76.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 111.175 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 54.1 Cg_endo -69.77 122.5 9.17 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.708 2.272 . . . . 0.0 112.377 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.42 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.83 152.18 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.42 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -135.94 95.5 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.51 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 8.8 p80 -122.78 130.85 53.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.7 m-20 54.71 39.93 31.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.24 11.14 8.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.913 HD23 HG22 ' A' ' 55' ' ' THR . 12.0 mt -103.99 98.78 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -80.82 121.22 25.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.6 -148.37 4.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.47 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.436 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 48.3 m95 -142.15 148.86 38.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 t -78.79 10.35 3.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.79 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 p -96.12 -46.98 6.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.445 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 1.6 p -117.25 -179.05 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -93.41 -11.98 30.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.617 ' HG2' HG23 ' A' ' 63' ' ' ILE . 12.2 tpp85 -51.73 131.45 30.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.51 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -147.86 126.6 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.554 HG21 ' N ' ' A' ' 60' ' ' PHE . 12.3 t -132.37 151.88 51.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.913 HG22 HD23 ' A' ' 44' ' ' LEU . 81.1 p -98.11 -12.81 21.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -91.83 108.57 20.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' A' ' 61' ' ' LEU . 44.8 t80 -40.62 -46.53 2.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.0 t -55.75 -42.69 75.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -70.17 -41.81 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.654 ' CE2' HD23 ' A' ' 61' ' ' LEU . 2.6 t80 -49.93 -43.07 49.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.654 HD23 ' CE2' ' A' ' 60' ' ' PHE . 8.6 mt -77.83 -11.46 59.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.2 t -91.99 -28.71 17.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.617 HG23 ' HG2' ' A' ' 52' ' ' ARG . 64.2 mt -34.0 104.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.1 p -58.73 130.66 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.564 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -41.75 144.15 0.88 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.445 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 29.2 p -98.5 -9.39 25.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.931 0.396 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.599 HG22 ' N ' ' A' ' 68' ' ' LYS . 86.2 m -112.9 163.75 14.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.599 ' N ' HG22 ' A' ' 67' ' ' THR . 14.2 mmtp -126.98 142.51 51.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.47 -152.95 10.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.7 mtt-85 -105.91 129.35 54.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.598 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 77.0 m-70 -48.02 136.12 11.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.518 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 16.2 m-20 -90.75 106.51 18.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.7 p -76.39 2.33 13.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -128.16 150.74 49.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.0 mttt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 p -127.51 -176.15 3.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -146.46 166.15 27.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.64 115.37 4.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.541 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -104.7 -40.81 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.842 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 m -49.72 -49.6 47.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.12 17.09 80.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.6 ptp -91.43 6.55 45.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.52 100.84 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 15.6 mt -79.96 141.68 35.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.639 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.8 tp -83.92 127.24 33.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.639 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.3 t -79.56 143.08 35.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.536 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 91.3 m-85 -123.35 31.51 5.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.491 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 85.5 m-20 -96.99 128.77 44.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.432 ' HB3' ' CH2' ' A' ' 47' ' ' TRP . 32.7 mtp85 -50.67 112.81 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.33 -9.31 28.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.6 t -116.47 -70.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.99 19.58 0.58 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -108.03 164.52 12.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 110.968 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.618 ' NH1' HD22 ' A' ' 11' ' ' LEU . 23.3 mmt-85 -75.79 173.45 11.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.669 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 43.0 p90 -172.19 166.9 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -108.74 128.11 26.14 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.656 0.741 . . . . 0.0 110.86 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -43.96 2.4 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -10.08 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 p -123.91 -19.59 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 27' ' ' SER . 58.4 t-20 -44.27 140.26 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.466 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 6.4 m -145.38 173.43 12.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.36 -7.13 45.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -132.31 37.01 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.7 -15.59 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 33.5 t -117.19 129.98 56.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.57 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.6 m -117.13 104.17 10.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.491 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 32.9 p90 -130.89 -175.81 3.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.55 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.8 m-70 -117.51 108.01 43.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -2.42 10.16 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.98 -148.4 24.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.571 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.23 155.14 76.0 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.704 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 108.96 2.19 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.306 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.432 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -106.98 153.31 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.432 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -136.92 96.12 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.549 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.28 130.85 53.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.9 OUTLIER 53.66 41.67 32.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.8 6.53 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.029 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.477 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 8.4 mt -99.25 93.37 5.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.975 0.417 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 11.8 mttp -80.25 117.21 20.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.98 -148.64 4.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.435 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.432 ' CH2' ' HB3' ' A' ' 15' ' ' ARG . 68.5 m95 -134.19 152.5 51.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.5 p -83.62 9.88 10.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.6 p -95.98 -50.73 4.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.6 p -112.78 -176.47 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -93.35 -16.86 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.659 ' HG2' HG23 ' A' ' 63' ' ' ILE . 13.0 tpp180 -44.21 133.73 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.549 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.8 tpp180 -153.12 138.22 17.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.802 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 t -142.86 148.85 37.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.47 ' CG2' HD23 ' A' ' 44' ' ' LEU . 4.4 p -89.87 -19.09 25.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -81.18 124.44 29.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -56.29 -30.86 63.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.5 t -73.41 -60.52 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -46.37 -37.7 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -50.49 -40.96 52.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt -78.17 -12.67 60.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -87.21 -31.02 20.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.659 HG23 ' HG2' ' A' ' 52' ' ' ARG . 79.4 mt -33.99 102.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.27 138.1 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.57 ' C ' HG22 ' A' ' 32' ' ' THR . . . -47.4 143.41 5.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.3 p -99.26 -20.75 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.588 HG22 ' N ' ' A' ' 68' ' ' LYS . 87.4 m -101.08 163.28 12.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.588 ' N ' HG22 ' A' ' 67' ' ' THR . 6.5 mmtm -126.31 144.89 50.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.67 -149.54 8.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -109.61 127.76 54.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.669 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 66.5 m-70 -47.1 139.32 5.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -96.64 103.37 15.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.5 p -75.01 3.38 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -116.33 151.61 35.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.536 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 p -143.73 160.33 40.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.827 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 m -152.85 113.95 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.46 -156.06 10.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 p -142.74 156.07 44.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.915 0.388 . . . . 0.0 110.787 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.7 m -116.59 178.81 4.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.8 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.09 26.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.545 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 ptp -105.68 12.05 31.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.88 98.34 9.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 10.4 mt -79.3 138.79 37.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 12' ' ' CYS . 4.8 tp -79.68 125.04 29.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.576 ' N ' HD12 ' A' ' 11' ' ' LEU . 16.8 t -77.42 140.77 39.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -120.97 33.26 5.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.478 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 85.5 m-20 -102.77 125.93 49.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -46.06 123.64 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.64 -21.21 39.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.6 -70.97 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.38 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.29 18.85 0.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -110.06 164.61 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -73.13 171.88 12.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.604 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 44.8 p90 -170.33 165.72 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -108.24 128.2 26.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.61 0.719 . . . . 0.0 110.818 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -43.77 2.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -60.62 -11.71 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -125.16 -19.68 5.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . 37.4 t-20 -54.36 132.11 43.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.45 -170.06 2.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -82.09 -1.46 48.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -135.09 32.11 3.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.17 -12.78 10.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.566 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 47.4 t -117.2 125.62 51.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.558 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.1 m -113.8 96.54 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.478 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 39.4 p90 -123.58 -175.8 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.495 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.7 m-70 -117.58 108.98 42.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.594 0.711 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.4 3.56 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.744 2.296 . . . . 0.0 112.326 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.56 -149.94 23.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.95 155.14 76.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 111.114 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.82 117.14 4.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -116.28 154.2 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 m-85 -136.78 95.98 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.55 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.45 130.46 53.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 10.7 m-20 53.77 41.89 31.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.55 6.72 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.719 HD23 HG22 ' A' ' 55' ' ' THR . 9.5 mt -99.65 99.26 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -84.71 117.7 23.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.75 -150.79 5.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.445 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 64.6 m95 -135.67 149.95 49.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.302 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.0 t -79.88 12.1 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.6 p -99.21 -50.61 4.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.9 p -114.09 179.96 3.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -89.65 -20.97 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.792 ' HG2' HG23 ' A' ' 63' ' ' ILE . 18.7 tpp180 -41.78 130.12 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.55 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -146.95 136.8 23.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.499 HG21 ' N ' ' A' ' 60' ' ' PHE . 10.7 t -148.44 146.24 28.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.719 HG22 HD23 ' A' ' 44' ' ' LEU . 23.7 p -90.25 -27.26 19.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 59' ' ' ASP . 7.0 t0 -71.56 104.5 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -41.09 -35.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -67.23 -40.76 86.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -68.3 -41.77 80.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.499 ' N ' HG21 ' A' ' 54' ' ' THR . 1.3 t80 -52.3 -36.36 52.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.415 HD23 ' CE2' ' A' ' 60' ' ' PHE . 12.1 mt -79.57 -18.5 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.3 t -86.21 -30.88 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.792 HG23 ' HG2' ' A' ' 52' ' ' ARG . 80.9 mt -34.04 101.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.217 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.9 p -58.87 139.29 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.069 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.558 ' C ' HG22 ' A' ' 32' ' ' THR . . . -47.16 143.91 5.31 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.441 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 p -99.04 -14.17 19.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.591 HG22 ' N ' ' A' ' 68' ' ' LYS . 91.0 m -108.44 163.97 12.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.591 ' N ' HG22 ' A' ' 67' ' ' THR . 31.7 mmtt -127.35 142.15 51.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.6 -154.63 13.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.1 mtm105 -103.71 127.91 51.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.604 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 63.7 m-70 -47.51 140.99 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.454 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 20.0 m-20 -96.83 108.68 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.6 p -83.25 16.14 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -136.32 133.67 37.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.9 mttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -171.75 144.74 1.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -143.1 168.52 19.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.07 -117.15 5.53 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -78.91 123.0 26.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.869 0.366 . . . . 0.0 110.894 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -108.25 -64.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.32 -25.58 0.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.42 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.9 ptp -86.59 8.26 22.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.5 101.54 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.054 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.8 mt -80.92 136.04 35.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.721 HD12 ' N ' ' A' ' 12' ' ' CYS . 1.5 tp -79.79 122.13 26.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.721 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.7 t -78.27 134.07 37.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.405 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 94.3 m-85 -111.76 11.5 20.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.498 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 87.3 m-20 -77.5 126.37 30.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.817 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -47.87 130.42 14.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.04 -17.96 57.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -108.27 -71.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.949 0.404 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.19 17.9 1.15 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.549 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -109.19 169.82 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -80.86 173.57 12.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.815 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.671 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 37.3 p90 -171.71 163.99 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 15.6 m-20 -111.28 126.36 28.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -38.43 7.84 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.46 -16.45 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.59 -25.67 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' THR . 9.5 t-20 -34.26 138.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.405 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 5.0 m -144.46 174.59 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.5 -3.2 23.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -134.73 36.45 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.82 -13.56 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.567 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.0 t -117.22 123.66 47.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.506 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -111.19 96.2 5.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 38.3 p90 -123.24 -175.68 3.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.517 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.5 m-70 -117.69 108.41 43.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.59 0.709 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.55 3.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.342 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.97 -150.08 23.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.98 155.13 76.43 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.68 0.752 . . . . 0.0 111.07 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.6 Cg_endo -69.79 117.72 5.25 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -117.48 153.96 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.447 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 m-85 -136.73 96.13 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.551 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.41 128.89 51.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.424 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.4 m-20 55.11 41.67 31.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.71 6.01 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.757 HD23 HG22 ' A' ' 55' ' ' THR . 8.1 mt -98.94 97.67 8.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -83.25 117.61 23.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.98 -151.73 5.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.406 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 65.5 m95 -134.79 150.09 50.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.787 0.327 . . . . 0.0 110.984 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.4 t -80.3 13.06 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.1 p -100.21 -49.36 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 p -115.54 -178.32 3.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' ARG . 10.6 mtmt -89.32 -26.87 20.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.691 ' HG2' HG23 ' A' ' 63' ' ' ILE . 2.3 tpm_? -35.03 135.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.937 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.551 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -153.72 128.2 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.59 HG22 HD11 ' A' ' 63' ' ' ILE . 11.0 t -139.31 140.35 37.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.757 HG22 HD23 ' A' ' 44' ' ' LEU . 38.5 p -83.98 -27.83 28.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -70.75 104.68 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -42.45 -28.32 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -72.3 -47.44 49.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.82 -40.67 97.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.55 ' N ' HG21 ' A' ' 54' ' ' THR . 2.4 t80 -50.09 -38.32 38.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.6 mt -79.37 -18.54 52.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 t -86.17 -30.44 22.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.691 HG23 ' HG2' ' A' ' 52' ' ' ARG . 90.9 mt -35.36 101.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.183 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 64' ' ' VAL . 1.4 p -57.13 147.12 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.517 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -54.42 143.57 30.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.502 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.5 p -98.71 -10.94 22.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.598 HG22 ' N ' ' A' ' 68' ' ' LYS . 86.0 m -111.99 164.04 13.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.095 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.598 ' N ' HG22 ' A' ' 67' ' ' THR . 34.4 mmtt -127.03 143.17 51.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.91 -154.63 13.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -103.5 127.99 50.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.671 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 79.1 m-70 -47.87 133.81 13.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 29.2 p-10 -89.74 104.99 17.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.8 p -79.02 6.67 8.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -113.7 147.37 38.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -99.25 73.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.371 . . . . 0.0 110.796 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -99.4 175.32 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.77 -65.6 0.45 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.561 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 t 46.53 49.84 13.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.911 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 p -90.0 150.1 22.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.31 17.32 2.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.4 ptp -100.57 9.24 42.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.732 0.301 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.99 101.51 8.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 14.2 mt -81.79 138.98 35.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.5 tp -79.73 122.19 26.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.625 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.3 t -71.09 145.14 50.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 60.0 m-85 -126.53 37.22 4.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.522 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 85.9 m-20 -108.52 122.56 47.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -43.92 120.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.97 -16.25 36.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.514 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 t -113.29 -71.14 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.897 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.2 18.03 0.77 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -105.89 168.68 8.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.948 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -77.3 170.33 16.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.633 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 44.9 p90 -170.21 165.19 9.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.482 ' HB2' HG23 ' A' ' 25' ' ' THR . 0.6 OUTLIER -108.74 128.52 25.38 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.547 0.689 . . . . 0.0 110.913 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.92 2.36 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.64 2.227 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.63 -15.12 6.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.482 HG23 ' HB2' ' A' ' 22' ' ' ASP . 0.2 OUTLIER -119.26 -25.37 6.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.176 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 27' ' ' SER . 53.2 t-20 -37.4 139.66 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 6.9 m -144.75 170.08 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -69.1 -7.98 41.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.3 p30 -132.89 35.18 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.42 -14.91 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.055 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 44.4 t -117.2 132.15 56.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.816 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.546 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.3 m -119.18 99.99 7.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.522 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 29.7 p90 -127.37 -175.85 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.492 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.7 m-70 -117.06 107.35 45.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 2.95 3.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.59 -150.0 24.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.24 155.08 77.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.689 0.757 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.76 119.16 6.15 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.674 2.249 . . . . 0.0 112.367 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -119.29 153.62 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.028 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.438 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.78 95.98 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.552 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.38 130.05 52.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.7 OUTLIER 54.19 42.08 31.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.53 6.6 5.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.595 HD23 HG22 ' A' ' 55' ' ' THR . 8.1 mt -99.34 98.89 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -84.97 116.72 23.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.97 -150.92 5.29 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.525 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.409 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 63.7 m95 -135.2 149.84 49.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.8 t -79.72 11.83 2.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 p -97.68 -51.37 4.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.8 p -113.79 -176.05 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 52' ' ' ARG . 13.4 mtpp -90.73 -28.04 18.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.677 ' HG2' HG23 ' A' ' 63' ' ' ILE . 16.3 tpp180 -34.44 133.84 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.552 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.6 tpp180 -153.11 125.37 8.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.65 HG21 ' N ' ' A' ' 60' ' ' PHE . 13.1 t -132.13 150.03 52.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.595 HG22 HD23 ' A' ' 44' ' ' LEU . 52.9 p -92.16 -29.53 16.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' SER . 68.3 m-20 -71.95 105.93 4.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -39.18 -28.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' ASP . 2.4 t -71.94 -53.12 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' C ' HG21 ' A' ' 54' ' ' THR . 0.9 OUTLIER -54.19 -42.25 69.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.65 ' N ' HG21 ' A' ' 54' ' ' THR . 2.9 t80 -51.06 -37.92 48.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.1 mt -81.02 -14.5 57.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.4 t -91.45 -31.67 15.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.677 HG23 ' HG2' ' A' ' 52' ' ' ARG . 90.4 mt -34.11 101.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.73 140.26 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.546 ' C ' HG22 ' A' ' 32' ' ' THR . . . -47.24 145.55 4.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.8 p -99.48 -18.56 17.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.942 0.401 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.621 HG22 ' N ' ' A' ' 68' ' ' LYS . 95.4 m -103.99 164.67 11.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.621 ' N ' HG22 ' A' ' 67' ' ' THR . 15.9 mmtp -127.13 143.74 51.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.44 -154.68 13.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -104.39 126.02 51.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.387 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.633 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 61.4 m-70 -44.12 134.68 4.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.518 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 12.4 m-20 -90.34 108.51 19.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -81.92 6.6 15.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -133.2 127.34 33.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.569 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 20.2 mmtt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 m -119.8 -7.41 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -53.2 140.35 26.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.11 -79.39 0.28 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -126.57 148.94 49.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -58.27 -59.15 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.69 3.15 90.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.429 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 ptp -122.31 15.37 10.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.2 95.84 10.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 9.7 mt -79.72 139.25 37.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.8 tp -79.99 123.54 27.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.649 ' N ' HD12 ' A' ' 11' ' ' LEU . 28.3 t -79.5 138.55 37.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.582 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 94.5 m-85 -119.48 35.22 4.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.497 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 89.3 m-20 -96.92 157.44 15.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' HB3' ' CZ3' ' A' ' 47' ' ' TRP . 6.2 mmt85 -69.51 115.33 8.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.42 -30.8 9.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -89.12 -72.34 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.14 19.32 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -114.19 170.34 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 110.959 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.532 ' NH1' HD22 ' A' ' 11' ' ' LEU . 17.9 mmt-85 -73.85 175.09 7.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 34.2 p90 -172.81 165.55 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.473 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 1.1 m-20 -111.59 122.51 37.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.721 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -39.13 6.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 0.0 112.427 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -50.78 -17.94 0.64 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -127.06 -26.39 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -39.67 130.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.52 -170.56 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -81.78 -1.07 45.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -136.33 34.81 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.59 -12.31 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.489 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 41.0 t -117.19 123.31 46.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.502 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -109.5 100.33 9.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.497 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 50.1 p90 -127.58 -175.63 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.462 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 92.2 m-70 -119.55 113.34 34.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.596 0.712 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 3.17 2.95 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.78 -149.77 16.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.538 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.86 155.02 76.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.9 Cg_endo -69.75 106.82 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.329 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -103.42 154.34 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.457 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.4 m-85 -136.77 95.7 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.55 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.75 131.13 53.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.8 OUTLIER 53.49 41.52 32.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 66.93 9.36 6.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.684 HD23 HG22 ' A' ' 55' ' ' THR . 10.5 mt -101.67 95.0 6.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -80.74 117.58 21.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.52 -150.9 5.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.43 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 54.9 m95 -134.82 146.69 49.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.738 0.304 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.5 t -78.32 9.54 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 p -97.3 -48.01 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.7 p -113.29 -179.18 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -93.4 -15.05 26.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.519 ' HG2' HG23 ' A' ' 63' ' ' ILE . 4.2 tpm_? -48.95 132.49 18.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.55 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 11.4 tpp180 -149.22 135.53 19.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.504 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.2 t -141.68 154.86 45.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.684 HG22 HD23 ' A' ' 44' ' ' LEU . 47.3 p -99.8 -24.48 14.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' PHE . 32.1 t0 -75.78 101.72 5.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' ASP . 6.2 t80 -37.19 -40.74 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 m -64.58 -49.2 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -60.4 -39.81 88.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.504 ' N ' HG21 ' A' ' 54' ' ' THR . 2.0 t80 -52.39 -44.28 65.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.473 HD23 ' CE2' ' A' ' 60' ' ' PHE . 52.5 mt -71.9 -11.58 60.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.3 t -89.2 -31.43 17.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.519 HG23 ' HG2' ' A' ' 52' ' ' ARG . 88.5 mt -34.07 100.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.16 137.63 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.502 ' C ' HG22 ' A' ' 32' ' ' THR . . . -42.8 142.76 1.57 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.9 p -99.07 -12.77 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.535 HG22 ' N ' ' A' ' 68' ' ' LYS . 32.0 m -111.77 161.48 16.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.535 ' N ' HG22 ' A' ' 67' ' ' THR . 12.6 mmtp -123.18 147.14 47.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.2 -152.36 12.04 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.377 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -107.75 130.27 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.736 0.303 . . . . 0.0 110.9 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.618 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 76.9 m-70 -46.88 136.01 8.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.44 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 16.9 m-20 -92.02 108.77 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 p -81.37 6.09 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -106.8 127.2 53.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.582 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 36.8 mttm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -130.09 178.7 6.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -153.36 150.68 29.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.92 -179.33 34.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 p -132.82 129.35 38.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.47 ' HB3' ' CE ' ' A' ' 8' ' ' MET . 0.7 OUTLIER -139.55 165.87 26.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.86 27.37 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.565 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.47 ' CE ' ' HB3' ' A' ' 6' ' ' SER . 0.0 OUTLIER -76.06 6.54 5.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 110.927 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.06 100.58 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 15.3 mt -79.33 142.28 36.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.679 HD22 ' NH1' ' A' ' 20' ' ' ARG . 2.1 tp -85.54 122.55 29.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.645 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.0 t -77.93 126.9 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 93.2 m-85 -102.99 6.95 39.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.849 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.492 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 90.3 m-20 -73.51 131.57 41.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -53.7 131.26 38.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.89 -21.63 44.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.503 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.34 -71.59 0.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.829 0.347 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.04 16.38 1.87 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -109.03 169.99 8.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.679 ' NH1' HD22 ' A' ' 11' ' ' LEU . 15.2 mmt-85 -81.15 174.69 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.623 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 40.7 p90 -172.67 164.27 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.486 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 56.1 m-20 -111.76 126.18 28.98 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.633 0.73 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -35.47 12.55 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -13.2 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.486 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -128.19 -27.9 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 27' ' ' SER . 63.4 t-20 -34.04 139.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.477 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 5.8 m -142.06 -178.47 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -78.33 -5.85 53.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -134.46 36.61 3.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.23 -13.56 9.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.5 t -117.16 128.8 55.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.485 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -116.05 96.32 5.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.487 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 36.8 p90 -124.2 -175.75 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.526 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.3 m-70 -117.24 108.53 43.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 3.26 2.91 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.68 2.253 . . . . 0.0 112.366 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.82 -148.56 20.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.09 155.21 76.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 111.171 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.6 Cg_endo -69.72 117.79 5.29 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.718 2.279 . . . . 0.0 112.414 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.43 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -114.5 152.55 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.185 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.43 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -136.52 95.86 3.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.519 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 9.5 p80 -122.48 130.6 53.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 4.6 m-20 54.97 39.49 31.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.87 8.44 6.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.691 HD23 ' CG2' ' A' ' 55' ' ' THR . 9.1 mt -101.26 100.08 10.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -82.63 119.98 24.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.97 -148.66 4.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.42 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 53.5 m95 -140.83 149.03 41.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.809 0.338 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -79.38 11.01 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.3 p -98.8 -43.42 6.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -120.97 179.57 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -91.24 -18.14 24.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.8 ' HG2' HG23 ' A' ' 63' ' ' ILE . 11.9 tpt180 -46.16 125.25 6.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.519 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.3 tpp180 -142.31 127.67 18.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.602 HG21 ' N ' ' A' ' 60' ' ' PHE . 14.2 t -135.45 151.6 50.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.691 ' CG2' HD23 ' A' ' 44' ' ' LEU . 65.4 p -97.4 -23.24 16.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' ASP . 14.0 t0 -78.12 105.81 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.881 ' CZ ' HD11 ' A' ' 61' ' ' LEU . 19.6 t80 -40.14 -37.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -66.0 -39.44 90.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.788 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' ASP . 73.8 m-20 -71.4 -40.58 70.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.823 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.602 ' N ' HG21 ' A' ' 54' ' ' THR . 2.7 t80 -53.07 -42.94 66.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.881 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 4.3 mt -75.62 -13.04 60.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 t -90.51 -28.13 18.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.796 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.8 HG23 ' HG2' ' A' ' 52' ' ' ARG . 73.5 mt -35.59 102.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.1 p -58.79 137.28 21.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.526 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.45 142.91 4.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.464 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.4 p -98.08 -10.89 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.623 HG22 ' N ' ' A' ' 68' ' ' LYS . 95.6 m -111.78 164.75 12.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.623 ' N ' HG22 ' A' ' 67' ' ' THR . 9.0 mmtp -127.84 144.03 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.96 -154.98 15.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -103.49 126.86 50.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.623 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 73.2 m-70 -46.06 134.88 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 30.5 p-10 -90.88 110.12 21.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.2 t -82.19 18.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -142.25 128.46 19.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.56 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -108.64 161.17 15.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -80.68 133.85 35.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.67 70.06 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -102.72 -47.7 4.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -105.87 123.19 47.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.56 30.49 8.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.8 ptp -125.16 6.38 7.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.762 0.315 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.05 101.93 8.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.7 mt -82.25 135.84 35.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.4 tp -79.89 129.16 34.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.659 ' N ' HD12 ' A' ' 11' ' ' LEU . 13.6 t -85.74 138.05 32.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 96.5 m-85 -113.74 11.59 18.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.867 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 87.1 m-20 -77.2 125.36 29.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -45.6 128.42 8.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.78 -22.29 41.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.25 -71.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.908 0.385 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.22 19.38 0.64 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -112.94 171.34 7.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.587 ' NH1' HD22 ' A' ' 11' ' ' LEU . 22.0 mmt-85 -80.39 173.25 12.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.617 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 38.2 p90 -171.74 164.64 6.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -106.82 128.1 26.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -44.0 2.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -11.49 12.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 p -120.61 -23.73 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 27' ' ' SER . 55.5 t-20 -41.07 140.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.478 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 4.4 m -144.81 162.93 35.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -7.36 6.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 29' ' ' ASP . 48.6 p30 -133.44 38.89 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.27 -12.03 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 44.7 t -117.21 122.59 44.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -111.12 97.1 6.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.483 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 24.4 p90 -124.97 -175.73 3.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.567 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.1 m-70 -116.98 105.95 48.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.606 0.717 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 3.11 2.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.49 -147.43 20.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.95 155.26 76.4 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.62 0.724 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.4 Cg_endo -69.79 122.06 8.74 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.4 151.96 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.414 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -136.73 96.04 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.481 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 10.2 p80 -122.28 130.99 53.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 5.3 m-20 54.79 38.58 30.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 71.45 2.62 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.826 HD23 HG22 ' A' ' 55' ' ' THR . 8.1 mt -95.98 104.18 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -86.75 119.95 27.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.43 -148.2 4.69 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.405 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 56.7 m95 -140.99 149.87 42.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.4 p -79.92 12.15 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 p -98.71 -44.07 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 p -120.27 -177.49 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -92.68 -21.28 20.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.789 ' HG2' HG23 ' A' ' 63' ' ' ILE . 26.0 tpt180 -42.35 136.39 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.481 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.9 tpp180 -152.35 137.73 17.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.513 HG21 ' CB ' ' A' ' 59' ' ' ASP . 15.0 t -148.66 148.62 30.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.826 HG22 HD23 ' A' ' 44' ' ' LEU . 11.6 p -90.53 -29.44 17.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 59' ' ' ASP . 15.2 t0 -72.44 108.69 5.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.896 ' CZ ' HD11 ' A' ' 61' ' ' LEU . 24.5 t80 -43.28 -34.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.7 m -66.73 -37.68 85.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.513 ' CB ' HG21 ' A' ' 54' ' ' THR . 4.4 m-20 -69.74 -43.26 72.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.481 ' N ' HG21 ' A' ' 54' ' ' THR . 1.4 t80 -53.97 -32.77 54.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.896 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 8.3 mt -85.03 -9.94 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.2 t -97.57 -29.51 13.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.789 HG23 ' HG2' ' A' ' 52' ' ' ARG . 71.6 mt -34.19 104.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 45.8 t -59.65 130.33 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.053 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -41.48 143.84 0.83 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.9 p -98.7 -10.53 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.929 0.395 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.601 HG22 ' N ' ' A' ' 68' ' ' LYS . 86.4 m -111.51 163.98 13.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.178 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.601 ' N ' HG22 ' A' ' 67' ' ' THR . 29.8 mmtt -126.94 143.34 51.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.14 -152.17 10.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -108.2 126.42 52.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 110.796 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.617 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 69.1 m-70 -44.58 132.61 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 29.6 p-10 -89.46 105.68 17.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t -77.1 4.18 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -128.72 126.26 39.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 2.1 mmmp? . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -59.58 126.78 28.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.945 0.402 . . . . 0.0 110.914 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -55.4 166.8 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.63 -58.83 0.14 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 m -121.27 34.71 5.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.867 0.365 . . . . 0.0 110.766 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -78.45 102.6 7.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.33 35.96 4.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.417 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.1 ptp -120.02 6.83 10.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.08 102.15 9.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 10.9 mt -83.33 138.09 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.0 tp -79.94 119.43 22.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.568 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.8 t -68.2 145.43 54.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' ASN . 73.1 m-85 -125.52 37.19 4.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.485 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 83.8 m-20 -107.7 124.96 50.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -45.63 119.33 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.48 -18.85 32.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 t -108.67 -71.15 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.72 18.55 0.69 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.562 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -108.05 169.53 8.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.857 0.36 . . . . 0.0 110.812 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -78.65 171.04 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.635 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 47.0 p90 -170.16 168.5 8.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 30.2 m-20 -113.41 124.98 30.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.62 0.724 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -37.83 8.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.611 2.207 . . . . 0.0 112.374 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HG3' HG22 ' A' ' 25' ' ' THR . 19.4 pt-20 -53.9 -16.68 1.95 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -127.04 -25.28 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -40.01 127.64 2.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.82 -170.23 2.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 0.7 OUTLIER -81.78 -0.81 44.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -135.83 33.29 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.85 -14.15 10.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.568 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 51.0 t -116.93 131.58 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.568 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -119.28 98.6 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.485 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 27.4 p90 -125.71 -175.75 3.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.565 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.4 m-70 -117.51 106.79 45.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.488 0.661 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.44 2.75 Favored 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.665 2.243 . . . . 0.0 112.364 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.36 -149.61 22.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.95 155.17 76.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.661 0.743 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.2 Cg_endo -69.82 122.01 8.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -122.85 131.63 72.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.43 95.72 4.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.418 ' NE2' ' HD2' ' A' ' 53' ' ' ARG . 3.4 p80 -122.78 131.53 53.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.557 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 6.3 m-20 55.31 36.22 26.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 74.68 5.6 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.597 HD23 HG22 ' A' ' 55' ' ' THR . 10.5 mt -98.68 101.54 12.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -92.97 117.02 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.68 -147.54 4.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.425 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 30.3 m95 -138.0 145.81 42.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.68 0.276 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.7 p -76.42 6.82 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.3 p -91.42 -39.85 11.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 p -122.75 175.51 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.411 ' HB2' ' NZ ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -86.81 -22.12 26.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.739 ' HG2' HG23 ' A' ' 63' ' ' ILE . 10.6 tpt180 -44.64 135.63 4.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' CG ' ' HB3' ' A' ' 44' ' ' LEU . 2.3 tpp85 -151.42 129.29 11.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.478 HG21 ' N ' ' A' ' 60' ' ' PHE . 14.4 t -129.05 162.32 27.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.597 HG22 HD23 ' A' ' 44' ' ' LEU . 71.9 p -109.85 -6.57 15.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 59' ' ' ASP . 2.7 m-20 -100.12 114.66 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -43.62 -41.48 4.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.5 t -64.51 -32.93 74.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' ASP . 34.9 m-20 -73.14 -40.08 65.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.579 ' CE2' HD23 ' A' ' 61' ' ' LEU . 1.2 t80 -52.76 -35.8 56.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.579 HD23 ' CE2' ' A' ' 60' ' ' PHE . 1.0 OUTLIER -83.38 -10.98 58.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.1 t -90.48 -33.44 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.739 HG23 ' HG2' ' A' ' 52' ' ' ARG . 88.3 mt -36.61 104.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' GLY . 1.4 p -61.91 130.16 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.568 ' C ' HG22 ' A' ' 32' ' ' THR . . . -38.3 144.18 0.23 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.5 p -99.02 -17.37 18.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.585 HG22 ' N ' ' A' ' 68' ' ' LYS . 88.4 m -103.74 163.07 12.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.585 ' N ' HG22 ' A' ' 67' ' ' THR . 30.5 mmtt -126.36 141.34 51.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.29 -153.81 11.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -103.66 131.38 50.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.635 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 68.3 m-70 -51.46 135.41 27.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.451 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 19.7 m-20 -91.76 102.79 15.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.7 t -71.18 -2.89 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' N ' ' CD ' ' A' ' 74' ' ' GLU . 9.0 mp0 -124.67 151.99 44.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.928 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -66.16 179.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -130.08 147.86 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.26 -83.17 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -93.35 113.57 25.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.899 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.96 -16.39 10.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.5 -39.13 3.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.07 7.35 11.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.328 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.0 98.85 6.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.0 mt -79.29 142.76 35.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 12' ' ' CYS . 6.8 tp -85.92 118.88 25.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.428 ' N ' HD12 ' A' ' 11' ' ' LEU . 13.2 t -71.6 137.78 48.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 93.8 m-85 -118.28 31.65 6.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.566 ' ND2' ' H ' ' A' ' 72' ' ' ASN . 86.0 m-20 -100.5 125.54 46.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -45.52 122.53 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.23 -25.22 24.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.62 -71.07 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.27 18.39 0.86 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -111.9 161.18 16.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -71.06 172.5 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.629 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 41.6 p90 -170.26 165.94 8.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.489 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 26.8 m-20 -112.72 125.82 29.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.661 0.743 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.28 7.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -53.21 -15.77 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.489 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.9 -27.43 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 -179.885 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 27' ' ' SER . 61.1 t-20 -36.07 136.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.422 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 4.6 m -142.59 179.34 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.44 -3.82 32.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -134.51 36.76 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.76 -14.52 8.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.2 t -117.13 122.23 43.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.563 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -111.1 97.17 6.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.144 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.482 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 27.4 p90 -123.54 -175.75 3.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.564 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.9 m-70 -117.15 106.29 47.51 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.535 0.683 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.83 -147.5 20.84 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.541 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.1 155.19 76.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.688 0.756 . . . . 0.0 111.091 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.3 Cg_endo -69.77 121.25 7.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.75 2.3 . . . . 0.0 112.262 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -118.3 151.9 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.414 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -136.68 96.03 3.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.467 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 12.2 p80 -122.18 130.43 53.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.511 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 2.0 m-20 54.74 38.54 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 72.28 -0.07 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.605 HD23 HG22 ' A' ' 55' ' ' THR . 7.6 mt -93.18 103.54 15.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -87.02 120.38 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.74 -148.07 4.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.413 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 55.9 m95 -141.19 150.03 42.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.8 t -80.0 12.2 2.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 p -99.12 -41.27 7.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.0 p -124.67 -178.56 4.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' ARG . 11.8 mtmt -89.44 -27.92 20.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.754 ' HG2' HG23 ' A' ' 63' ' ' ILE . 8.2 tpm_? -35.36 133.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.467 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.1 tpp180 -151.33 128.75 11.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.549 HG21 ' N ' ' A' ' 60' ' ' PHE . 14.7 t -138.68 150.35 46.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.605 HG22 HD23 ' A' ' 44' ' ' LEU . 75.3 p -93.95 -28.51 15.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' SER . 15.0 t0 -69.88 101.58 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' ASP . 81.4 t80 -35.82 -31.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 56' ' ' ASP . 98.7 p -72.44 -53.25 12.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.495 ' C ' HG21 ' A' ' 54' ' ' THR . 1.0 OUTLIER -56.21 -33.49 65.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.549 ' N ' HG21 ' A' ' 54' ' ' THR . 2.4 t80 -60.6 -38.69 85.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.799 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.426 HD23 ' CE2' ' A' ' 60' ' ' PHE . 2.0 mt -81.66 -7.63 59.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.4 t -96.99 -29.8 13.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.754 HG23 ' HG2' ' A' ' 52' ' ' ARG . 71.1 mt -34.04 104.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.3 p -57.18 134.99 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.084 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.564 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -45.52 145.02 2.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 p -98.26 -12.62 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.592 HG22 ' N ' ' A' ' 68' ' ' LYS . 93.4 m -109.78 163.09 13.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.592 ' N ' HG22 ' A' ' 67' ' ' THR . 37.7 mmtt -126.09 143.55 51.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.9 -154.32 13.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -104.69 130.94 52.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.323 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.629 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 78.5 m-70 -47.42 134.39 11.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.566 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 7.3 m-20 -89.74 108.34 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.1 p -82.47 10.44 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -121.69 144.54 48.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.474 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 41.9 mtmt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -114.1 158.46 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.9 p -172.44 148.01 1.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.1 156.09 24.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 p -77.32 115.46 17.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.952 0.406 . . . . 0.0 110.81 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 p -109.78 149.34 29.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.83 -2.43 4.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.41 7.96 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.64 100.34 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.3 mt -81.21 138.42 35.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.655 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.3 tp -79.85 121.67 25.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.655 ' N ' HD12 ' A' ' 11' ' ' LEU . 38.2 t -73.45 139.05 45.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.468 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 66.2 m-85 -122.09 40.63 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.52 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 83.9 m-20 -109.11 120.38 42.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -41.42 118.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.3 -11.66 39.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 t -117.46 -71.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.378 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.75 18.67 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.414 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -106.88 166.9 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.472 ' NH1' HD22 ' A' ' 11' ' ' LEU . 16.7 mmt-85 -76.34 173.89 10.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.644 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 29.9 p90 -172.75 165.15 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.487 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 3.5 m-20 -112.33 125.21 30.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.552 0.691 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -37.34 9.22 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.719 2.279 . . . . 0.0 112.293 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.24 -18.18 3.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -124.63 -20.4 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.495 ' OD1' ' NE ' ' A' ' 70' ' ' ARG . 21.2 t-20 -34.21 146.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.475 ' OG ' ' HB2' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -148.48 165.07 32.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.89 -1.27 9.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 29' ' ' ASP . 43.8 p30 -136.37 26.21 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.797 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.475 ' HB2' ' OG ' ' A' ' 27' ' ' SER . . . -106.49 -13.74 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.3 t -117.2 126.7 53.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.546 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -115.35 99.32 7.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.52 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 27.7 p90 -124.62 -175.77 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.529 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.7 m-70 -116.78 106.8 47.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 34' ' ' HIS . 54.5 Cg_endo -69.68 2.83 3.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.95 -147.56 20.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.03 155.23 76.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.509 0.671 . . . . 0.0 111.199 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.78 121.59 8.27 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -118.83 152.1 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.421 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.64 96.12 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.509 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 9.4 p80 -122.25 130.26 53.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.0 OUTLIER 54.97 39.96 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 69.14 7.0 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.927 HD23 HG22 ' A' ' 55' ' ' THR . 10.4 mt -100.05 101.82 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -84.16 120.56 26.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.1 -148.3 4.71 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.412 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 54.6 m95 -141.71 149.6 40.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.772 0.32 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.6 p -79.79 11.91 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.9 p -98.79 -43.78 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.3 p -121.1 -178.38 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -91.18 -22.46 20.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.787 ' HG2' HG23 ' A' ' 63' ' ' ILE . 17.5 tpt180 -40.93 134.13 2.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.509 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.4 tpp180 -150.85 128.71 11.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.63 HG21 ' N ' ' A' ' 60' ' ' PHE . 13.3 t -138.4 143.56 39.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.199 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.927 HG22 HD23 ' A' ' 44' ' ' LEU . 33.9 p -86.67 -27.91 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -73.57 106.28 5.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -40.86 -33.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -67.41 -47.37 70.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.444 ' C ' HG21 ' A' ' 54' ' ' THR . 20.1 m-20 -61.67 -42.37 98.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.63 ' N ' HG21 ' A' ' 54' ' ' THR . 1.9 t80 -52.67 -40.25 62.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.554 HD23 ' CE2' ' A' ' 60' ' ' PHE . 14.2 mt -79.13 -7.3 58.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.6 t -99.98 -27.91 13.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.787 HG23 ' HG2' ' A' ' 52' ' ' ARG . 61.6 mt -34.12 102.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -55.54 128.83 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.546 ' C ' HG22 ' A' ' 32' ' ' THR . . . -39.87 144.32 0.42 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.7 p -98.63 -14.16 20.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.624 HG22 ' N ' ' A' ' 68' ' ' LYS . 90.3 m -107.59 165.26 11.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.624 ' N ' HG22 ' A' ' 67' ' ' THR . 23.1 mmtt -127.0 140.57 52.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.85 -156.74 16.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.495 ' NE ' ' OD1' ' A' ' 26' ' ' ASN . 27.0 mtp180 -104.1 133.09 49.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.644 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 84.4 m-70 -49.12 134.86 17.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.455 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 2.1 m120 -91.58 107.89 19.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.8 p -80.73 9.97 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -131.51 134.91 46.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 6.9 mtpm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -85.42 90.88 8.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.381 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -120.52 166.16 14.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.07 -30.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.517 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 t -103.91 75.15 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.777 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -60.58 -64.67 0.87 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.52 6.44 70.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.442 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 ptp -123.56 6.69 8.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.96 99.56 7.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.2 mt -80.39 137.66 36.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.7 tp -79.75 126.59 31.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.7 ' N ' HD12 ' A' ' 11' ' ' LEU . 11.0 t -74.95 142.83 43.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' ASN . 74.1 m-85 -122.28 35.37 4.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 82.1 m-20 -107.17 125.69 51.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -47.06 126.32 8.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.65 -19.63 49.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -109.01 -70.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.36 17.99 0.81 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -105.43 167.99 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.319 . . . . 0.0 110.952 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.629 ' NH1' HD22 ' A' ' 11' ' ' LEU . 22.6 mmt-85 -76.6 174.5 10.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.668 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 42.4 p90 -172.57 163.36 5.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' ASN . 5.7 m-20 -104.4 128.2 27.49 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.667 0.746 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -44.1 2.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.732 2.288 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -13.26 45.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -119.89 -17.01 8.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 27' ' ' SER . 28.3 t-20 -46.29 141.19 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.484 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 73.8 m -145.44 169.32 18.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -69.46 -7.37 37.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -131.63 35.41 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.41 -14.31 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.8 t -117.09 130.22 56.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.556 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -118.1 99.37 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.48 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 34.5 p90 -125.27 -175.79 3.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.964 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.506 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.6 m-70 -117.03 108.22 44.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.77 3.25 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.736 2.291 . . . . 0.0 112.304 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.67 -149.66 21.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.73 155.15 76.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.74 . . . . 0.0 111.131 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.84 114.33 3.68 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.38 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.441 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -113.13 153.59 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.441 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.55 95.92 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.552 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.3 129.25 51.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 2.7 m-20 54.84 42.22 31.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.45 6.28 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.759 HD23 HG22 ' A' ' 55' ' ' THR . 9.7 mt -98.98 98.77 9.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -84.53 116.73 23.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.21 -151.44 5.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.414 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 64.6 m95 -135.1 149.69 50.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.733 0.301 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.3 t -79.75 11.74 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 p -99.26 -50.36 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 p -112.5 176.13 5.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -88.06 -18.0 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.643 ' HG2' HG23 ' A' ' 63' ' ' ILE . 8.2 tpt180 -45.25 139.35 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.552 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 11.5 tpp180 -153.65 143.02 21.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.589 HG21 ' N ' ' A' ' 60' ' ' PHE . 12.3 t -153.71 150.39 28.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.759 HG22 HD23 ' A' ' 44' ' ' LEU . 4.0 p -97.08 -25.26 15.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 59' ' ' ASP . 25.6 t0 -75.0 100.98 4.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.773 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.948 ' CZ ' HD11 ' A' ' 61' ' ' LEU . 43.6 t80 -35.54 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 56' ' ' ASP . 47.5 t -67.49 -47.32 70.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 56' ' ' ASP . 37.4 m-20 -63.82 -40.99 97.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.589 ' N ' HG21 ' A' ' 54' ' ' THR . 7.8 t80 -52.79 -45.73 67.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.948 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 12.6 mt -73.83 -16.58 61.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -88.1 -33.88 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.643 HG23 ' HG2' ' A' ' 52' ' ' ARG . 91.6 mt -34.03 98.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.409 HG12 ' H ' ' A' ' 64' ' ' VAL . 1.0 OUTLIER -57.2 148.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.556 ' C ' HG22 ' A' ' 32' ' ' THR . . . -53.4 144.13 25.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.529 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.4 p -98.92 -16.81 18.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 68' ' ' LYS . 89.5 m -105.83 164.03 12.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.6 ' N ' HG22 ' A' ' 67' ' ' THR . 16.2 mmtp -125.69 144.44 50.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.78 -154.26 13.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.0 mtm105 -105.43 128.31 53.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.668 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 71.8 m-70 -47.1 137.82 7.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.468 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 27.8 m-20 -93.99 104.7 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.7 p -74.36 1.9 10.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -126.36 146.53 50.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -115.94 68.45 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -101.16 -27.94 12.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.34 -126.59 2.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 p -122.38 124.41 43.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 110.833 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t -66.35 -53.28 38.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.64 -0.55 4.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.56 8.02 12.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.777 0.323 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.88 107.0 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' A' ' 21' ' ' PHE . 7.3 mt -90.2 142.57 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.2 tp -79.85 120.64 24.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.556 ' N ' HD12 ' A' ' 11' ' ' LEU . 22.7 t -70.17 146.31 50.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' ASN . 52.2 m-85 -125.61 43.18 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.51 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 87.4 m-20 -117.72 123.09 45.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -41.84 121.91 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.3 -14.71 51.14 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' GLN . 1.3 t -115.01 -70.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.813 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.13 22.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' CYS . 0.8 OUTLIER -114.55 162.63 16.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.3 . . . . 0.0 110.97 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mmm-85 -64.2 172.41 2.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 71' ' ' HIS . 40.4 p90 -172.7 166.27 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.484 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 1.2 m-20 -109.19 119.7 47.79 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -38.11 8.05 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.64 2.227 . . . . 0.0 112.327 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -51.69 -17.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.484 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.72 -27.45 3.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' THR . 54.4 t-20 -35.25 125.05 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.531 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 46.4 m -135.51 173.41 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -7.52 7.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -130.69 36.04 3.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.531 ' HB3' ' H ' ' A' ' 27' ' ' SER . . . -121.4 -14.54 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.553 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 40.6 t -117.21 129.56 56.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.441 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -115.11 103.65 11.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.095 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.51 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 47.6 p90 -131.33 -175.83 3.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.511 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.4 m-70 -117.42 110.21 41.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.668 0.747 . . . . 0.0 110.816 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 1.72 4.22 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.617 2.211 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.86 -149.52 22.45 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.454 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.24 155.09 76.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.735 0.779 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.6 Cg_endo -69.72 114.05 3.57 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.6 146.5 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -129.32 95.95 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.55 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.5 p80 -122.5 130.1 52.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.6 m-20 54.08 40.85 32.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.94 1.49 3.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.534 HD23 HG22 ' A' ' 55' ' ' THR . 6.1 mt -95.31 96.51 9.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -82.59 116.53 22.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.51 -151.66 5.48 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.445 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.404 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 67.2 m95 -134.76 149.86 50.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.737 0.303 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.7 p -79.88 12.08 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.2 p -101.01 -49.83 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -112.14 -178.41 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.29 -19.78 21.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.715 ' HG2' HG23 ' A' ' 63' ' ' ILE . 13.4 tpt180 -42.26 136.5 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.55 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.1 tpp180 -153.57 131.36 11.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.656 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.3 t -139.44 149.8 44.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.534 HG22 HD23 ' A' ' 44' ' ' LEU . 33.2 p -92.87 -24.53 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -79.01 108.78 12.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.541 ' CE2' HD11 ' A' ' 61' ' ' LEU . 78.1 t80 -43.23 -30.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 p -70.13 -43.9 70.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.447 ' C ' HG21 ' A' ' 54' ' ' THR . 5.6 m-20 -67.61 -39.84 84.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.656 ' N ' HG21 ' A' ' 54' ' ' THR . 2.3 t80 -52.7 -42.26 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.541 HD11 ' CE2' ' A' ' 57' ' ' PHE . 32.0 mt -76.07 -20.99 57.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.1 t -82.15 -29.96 31.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.715 HG23 ' HG2' ' A' ' 52' ' ' ARG . 82.0 mt -35.31 102.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 64' ' ' VAL . 1.5 p -60.15 138.65 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.511 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.05 143.52 4.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.6 p -98.75 -13.8 20.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.605 HG22 ' N ' ' A' ' 68' ' ' LYS . 86.2 m -109.53 164.78 12.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.605 ' N ' HG22 ' A' ' 67' ' ' THR . 13.6 mmtp -126.31 143.51 51.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.3 -152.9 10.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.46 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -108.4 129.2 55.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 70.5 m-70 -46.49 130.45 11.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 13' ' ' TYR . 9.9 m-20 -85.81 99.03 11.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.0 t -73.97 2.43 8.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' HA ' ' HZ3' ' A' ' 75' ' ' LYS . 98.6 mt-10 -139.87 121.19 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.459 ' HZ3' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -148.42 139.3 23.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -172.21 150.95 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.52 117.63 1.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -91.73 95.44 9.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -103.13 142.69 33.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.41 26.23 8.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.453 ' O ' ' CD ' ' A' ' 23' ' ' PRO . 8.2 ptp -130.89 10.65 5.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.821 0.343 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.67 96.46 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.1 mt -79.78 138.04 37.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.2 tp -79.77 122.82 27.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.612 ' N ' HD12 ' A' ' 11' ' ' LEU . 22.7 t -73.37 145.98 45.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -125.41 33.23 5.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.491 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 85.1 m-20 -100.27 129.93 46.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -50.2 116.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.93 -15.06 37.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.35 -70.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.958 0.408 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.87 19.08 0.47 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -107.92 167.01 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -75.88 172.74 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 38.1 p90 -172.28 164.1 5.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.8 OUTLIER -107.43 128.59 25.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 0.0 110.862 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.453 ' CD ' ' O ' ' A' ' 8' ' ' MET . 53.5 Cg_endo -69.79 -43.62 2.53 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -62.58 -12.08 20.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 p -122.61 -18.99 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 22' ' ' ASP . 64.0 t-20 -50.16 137.43 17.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.433 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 6.1 m -143.4 -175.32 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.78 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -78.04 -5.44 51.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -133.09 35.27 3.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.76 -14.56 9.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 32.4 t -116.96 131.23 57.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -117.87 100.09 7.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.491 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 31.6 p90 -127.32 -175.79 3.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.537 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.0 m-70 -117.62 106.85 45.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.88 3.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.351 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.0 -148.1 20.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.34 155.89 75.46 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.568 0.699 . . . . 0.0 111.123 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.76 104.93 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.27 . . . . 0.0 112.319 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -101.77 145.17 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.111 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -137.15 94.79 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.476 ' CE1' HH11 ' A' ' 53' ' ' ARG . 8.5 p80 -123.27 134.43 54.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.807 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.4 OUTLIER 52.72 44.18 30.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 66.78 2.81 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 41' ' ' HIS . 5.1 mt -96.36 98.22 10.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 10.7 mtmm -93.24 128.12 39.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.48 ' C ' ' CD1' ' A' ' 47' ' ' TRP . . . -158.08 -122.52 0.69 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.501 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.48 ' CD1' ' C ' ' A' ' 46' ' ' GLY . 68.5 m95 -158.2 146.71 18.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.9 t -79.53 10.92 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 p -99.55 -38.69 8.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 p -129.13 172.05 11.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -79.16 5.56 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.845 ' HG3' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -60.55 118.33 6.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.476 HH11 ' CE1' ' A' ' 41' ' ' HIS . 0.3 OUTLIER -154.19 124.2 6.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.4 ' CG2' HH12 ' A' ' 52' ' ' ARG . 2.8 t -128.73 161.48 29.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.7 p -97.28 5.77 49.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.12 138.27 49.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -71.35 -49.17 45.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -60.27 -31.02 69.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.803 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -75.7 -33.5 60.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -52.77 -39.85 62.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.95 -23.08 59.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -69.49 -29.84 67.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.845 HG23 ' HG3' ' A' ' 52' ' ' ARG . 71.1 mt -42.11 129.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.462 ' O ' ' CE1' ' A' ' 34' ' ' HIS . 38.8 t -98.54 146.01 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.642 ' O ' HG22 ' A' ' 32' ' ' THR . . . -46.02 137.37 7.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.531 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.4 p -97.73 -10.89 24.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.942 0.401 . . . . 0.0 110.919 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.61 HG22 ' N ' ' A' ' 68' ' ' LYS . 91.4 m -108.8 165.06 11.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.61 ' N ' HG22 ' A' ' 67' ' ' THR . 15.9 mmtp -125.66 141.88 51.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.16 -149.09 7.57 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -108.68 128.25 54.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.575 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 83.0 m-70 -49.39 141.39 9.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' ND2' ' OD1' ' A' ' 14' ' ' ASN . 60.3 m-20 -99.16 108.11 20.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 p -81.75 9.37 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -122.71 122.83 39.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.2 mttt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -82.14 96.85 7.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.899 0.38 . . . . 0.0 110.845 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 t -128.66 170.37 13.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.774 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.57 2.56 8.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -85.17 54.71 3.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -69.26 175.69 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.32 27.08 12.04 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.439 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.7 ptp -101.68 6.51 41.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.735 0.302 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.47 102.66 7.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.7 mt -81.7 143.13 32.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.723 HD12 ' N ' ' A' ' 12' ' ' CYS . 1.8 tp -83.91 122.52 28.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.723 ' N ' HD12 ' A' ' 11' ' ' LEU . 41.9 t -74.78 133.45 41.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.584 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 89.9 m-85 -114.45 27.15 9.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.502 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 86.0 m-20 -95.36 123.32 38.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.413 ' NH2' ' HG3' ' A' ' 38' ' ' PRO . 14.8 mtp180 -44.39 125.42 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.55 -3.34 57.71 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.79 -72.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.79 20.25 1.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.35 166.36 11.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.723 0.297 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -75.88 173.59 10.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.649 ' CB ' ' CD2' ' A' ' 71' ' ' HIS . 35.9 p90 -172.81 164.4 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.478 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 94.4 m-20 -111.96 126.0 29.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -30.95 21.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.414 ' HG3' HG22 ' A' ' 25' ' ' THR . 0.4 OUTLIER -63.35 -13.4 38.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.6 -25.27 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 25' ' ' THR . 57.4 t-20 -34.15 136.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.418 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 7.0 m -145.32 171.99 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -1.52 8.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -137.44 39.19 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.67 -12.92 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.061 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 t -117.2 125.61 51.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.552 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -111.8 95.86 5.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.171 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.502 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 28.1 p90 -124.41 -175.05 3.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.459 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.7 m-70 -120.5 107.5 38.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.596 0.712 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 3.19 2.9 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.62 -148.06 20.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.475 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.24 156.21 75.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.682 0.753 . . . . 0.0 111.116 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HG3' ' NH2' ' A' ' 15' ' ' ARG . 53.8 Cg_endo -69.71 116.44 4.56 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.665 2.243 . . . . 0.0 112.304 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -112.39 151.85 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.79 95.88 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.492 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 12.6 p80 -122.42 130.52 53.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.496 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 2.3 m-20 54.74 38.74 30.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 71.74 1.33 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.693 HD23 HG22 ' A' ' 55' ' ' THR . 9.7 mt -94.26 99.67 11.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 14.1 mttp -84.3 118.93 24.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.22 -146.47 4.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -139.76 147.4 40.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.718 0.294 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -79.45 11.29 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.7 p -97.16 -41.25 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -122.48 -177.07 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -93.3 -18.37 22.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.823 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.749 ' HG2' HG23 ' A' ' 63' ' ' ILE . 15.1 tpt180 -45.61 135.5 6.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.492 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.0 tpp180 -153.03 131.01 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.537 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.4 t -134.87 149.37 50.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.693 HG22 HD23 ' A' ' 44' ' ' LEU . 18.5 p -93.55 -17.5 23.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -87.39 114.95 24.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -46.79 -42.6 17.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -46.09 89.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -65.0 -40.14 94.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.615 ' CE2' HD23 ' A' ' 61' ' ' LEU . 4.8 t80 -49.24 -44.62 43.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.615 HD23 ' CE2' ' A' ' 60' ' ' PHE . 6.7 mt -77.07 -11.33 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.6 t -90.26 -30.49 17.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.749 HG23 ' HG2' ' A' ' 52' ' ' ARG . 79.2 mt -34.08 100.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.3 p -56.37 134.63 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.552 ' C ' HG22 ' A' ' 32' ' ' THR . . . -41.21 143.88 0.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.461 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.1 p -99.06 -18.35 17.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.593 HG22 ' N ' ' A' ' 68' ' ' LYS . 62.8 m -106.0 163.74 12.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.593 ' N ' HG22 ' A' ' 67' ' ' THR . 22.8 mmtt -126.41 140.36 52.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.5 -149.19 7.71 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -106.92 133.95 50.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.649 ' CD2' ' CB ' ' A' ' 21' ' ' PHE . 97.3 m-70 -46.34 173.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.475 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . 0.9 OUTLIER -128.95 106.18 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.4 t -82.18 3.89 25.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.47 155.3 39.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.584 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -164.3 139.99 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 p -92.39 144.93 24.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.89 119.39 2.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 t -78.91 71.89 5.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.827 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -77.1 166.72 22.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.65 23.65 0.93 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 ptp -118.54 6.54 11.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.12 102.84 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 10.0 mt -82.71 137.54 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.3 tp -79.88 119.77 23.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.539 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.4 t -68.04 144.49 55.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' ASN . 70.8 m-85 -124.1 36.85 4.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.511 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 85.8 m-20 -106.11 128.1 53.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.81 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -48.62 117.47 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.74 -23.14 22.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 t -103.17 -71.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.19 19.8 0.71 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -108.14 167.49 9.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.916 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -76.84 170.97 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.658 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 43.8 p90 -170.31 166.84 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.483 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 13.0 m-20 -113.37 125.34 29.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.63 10.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.668 2.246 . . . . 0.0 112.309 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -14.83 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -127.39 -26.89 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.143 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' THR . 62.2 t-20 -34.34 135.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.407 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 33.9 m -142.67 179.82 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -74.45 -4.56 37.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -135.47 39.82 2.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.3 -14.5 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 35.4 t -117.22 128.88 55.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.41 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -115.59 106.68 14.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.168 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.511 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 23.0 p90 -135.57 -175.75 4.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.57 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.3 m-70 -117.38 106.17 47.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.524 0.678 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 34' ' ' HIS . 54.3 Cg_endo -69.61 3.06 2.92 Favored 'Trans proline' 0 C--O 1.23 0.087 0 C-N-CA 122.727 2.285 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.52 -161.43 24.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.24 155.7 61.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.622 0.725 . . . . 0.0 111.123 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.7 Cg_endo -69.83 123.11 9.76 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.467 HG13 ' NH2' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -125.0 148.71 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.41 95.44 3.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.779 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.508 ' CD2' HH21 ' A' ' 53' ' ' ARG . 4.3 p80 -122.99 135.9 54.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.9 OUTLIER 52.47 44.66 29.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.39 0.63 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.42 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 15.2 mt -94.04 113.03 24.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -104.36 119.56 39.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.422 ' HA3' ' NH1' ' A' ' 53' ' ' ARG . . . -155.26 -146.48 4.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.464 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 49.3 m95 -136.29 147.57 47.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.848 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -69.45 -0.7 6.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.7 p -89.53 -36.42 15.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.3 p -128.08 176.3 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 52' ' ' ARG . 14.4 mmtt -93.5 -26.72 17.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.597 ' HG2' HG23 ' A' ' 63' ' ' ILE . 18.8 tpp180 -33.89 139.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.508 HH21 ' CD2' ' A' ' 41' ' ' HIS . 14.9 mmt-85 -152.74 149.48 28.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 t -152.3 126.22 9.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -66.22 -11.09 47.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -92.41 129.5 38.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -65.93 -35.72 81.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 t -66.89 -54.14 25.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -56.51 -36.57 69.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -51.6 -50.45 60.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.78 -0.03 12.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -100.98 -27.86 13.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.597 HG23 ' HG2' ' A' ' 52' ' ' ARG . 55.0 mt -35.18 115.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.1 t -65.99 129.4 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -39.34 143.83 0.36 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.527 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.5 p -100.52 -12.65 19.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.615 HG22 ' N ' ' A' ' 68' ' ' LYS . 70.9 m -107.34 165.47 11.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.615 ' N ' HG22 ' A' ' 67' ' ' THR . 4.4 mmtm -130.59 140.59 50.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.84 -152.23 9.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -105.68 127.55 53.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.658 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 69.4 m-70 -46.95 133.89 10.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 13' ' ' TYR . 19.6 m-20 -92.17 106.22 18.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.0 t -77.87 5.76 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -130.35 133.42 46.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -103.7 168.54 9.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.934 0.397 . . . . 0.0 110.815 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -138.8 144.52 39.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.06 160.0 53.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -107.25 167.81 9.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.937 0.399 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -69.67 147.72 50.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.823 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.78 -19.14 20.76 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.4 ptp -83.11 11.61 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.344 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.47 97.73 6.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.0 mt -80.61 139.3 36.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.0 tp -79.8 122.63 26.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.707 ' N ' HD12 ' A' ' 11' ' ' LEU . 25.4 t -73.45 146.95 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.467 ' CD1' ' CD ' ' A' ' 75' ' ' LYS . 54.9 m-85 -127.08 37.14 4.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.484 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 84.7 m-20 -108.02 125.46 51.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.4 mtt-85 -44.2 125.37 4.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.19 -17.84 56.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -110.28 -71.99 0.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.87 19.56 0.35 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -108.09 168.79 9.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.969 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -74.8 173.76 10.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 10' ' ' LEU . 36.2 p90 -172.76 163.68 5.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.489 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 50.9 m-20 -111.03 124.63 32.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.732 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -33.26 17.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.34 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.12 -10.7 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.489 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -129.71 -29.87 2.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 25' ' ' THR . 61.9 t-20 -37.23 138.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.531 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -137.84 -177.32 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.496 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 2.1 t70 -75.54 6.32 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' HA ' ' HB3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -150.54 26.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.531 ' HB3' ' H ' ' A' ' 27' ' ' SER . . . -102.04 -9.46 20.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 34.9 t -117.67 127.42 53.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.544 HG22 ' HA3' ' A' ' 65' ' ' GLY . 3.0 m -110.35 108.77 18.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.484 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 40.2 p90 -135.28 -175.67 4.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.545 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 91.0 m-70 -117.3 108.51 43.58 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.717 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.9 3.1 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.7 2.266 . . . . 0.0 112.372 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.99 -151.53 22.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.82 155.1 78.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.688 0.756 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.454 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.4 Cg_endo -69.79 117.7 5.24 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.691 2.26 . . . . 0.0 112.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -117.13 154.0 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.4 m-85 -136.82 95.73 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.549 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.91 131.5 53.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 18.4 m-20 53.35 40.96 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 66.94 10.53 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.656 HD23 HG22 ' A' ' 55' ' ' THR . 9.5 mt -102.82 94.97 5.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 11.2 mttp -81.28 119.94 24.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.74 -149.75 5.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.454 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 47.8 m95 -137.65 148.45 45.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.787 0.327 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.6 t -79.46 10.55 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.422 ' SG ' ' CB ' ' A' ' 47' ' ' TRP . 3.6 p -95.45 -46.93 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 1.8 p -115.47 179.3 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -93.32 -6.11 48.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.56 ' HG2' HG23 ' A' ' 63' ' ' ILE . 12.9 tpt180 -57.93 135.44 56.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.549 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -153.48 129.89 10.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.0 t -130.48 145.58 51.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.656 HG22 HD23 ' A' ' 44' ' ' LEU . 9.7 p -83.82 -23.35 31.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.74 153.56 32.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 5.8 t80 -83.41 -30.42 27.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t -73.6 -48.65 31.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.7 -42.15 74.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.48 ' CE2' HD23 ' A' ' 61' ' ' LEU . 7.6 t80 -47.44 -46.8 26.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.48 HD23 ' CE2' ' A' ' 60' ' ' PHE . 18.7 mt -73.18 -15.71 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.1 t -85.14 -33.58 22.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.56 HG23 ' HG2' ' A' ' 52' ' ' ARG . 97.7 mt -34.19 99.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.82 135.75 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.545 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -39.88 141.5 0.71 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 29.1 p -95.86 -16.42 21.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.627 HG22 ' N ' ' A' ' 68' ' ' LYS . 91.8 m -110.47 165.54 11.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.627 ' N ' HG22 ' A' ' 67' ' ' THR . 12.9 mmtp -128.43 144.58 51.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 28' ' ' ASP . . . -175.2 -146.86 5.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.497 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 27' ' ' SER . 33.4 mtt180 -109.54 133.1 53.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 31' ' ' CYS . 83.1 m-70 -54.55 134.23 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.46 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 10.4 m-20 -93.38 106.19 18.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.1 p -76.87 4.69 9.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -130.12 131.14 45.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.467 ' CD ' ' CD1' ' A' ' 13' ' ' TYR . 3.3 mmmm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.442 ' O ' ' CD ' ' A' ' 23' ' ' PRO . 4.3 ptp . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.817 0.341 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.55 99.49 7.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.9 mt -81.02 139.28 35.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.706 HD22 ' NH1' ' A' ' 20' ' ' ARG . 2.2 tp -79.91 124.7 28.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.703 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.8 t -72.69 144.17 47.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 60.4 m-85 -123.8 38.36 4.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.512 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 82.7 m-20 -109.28 127.78 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 -49.12 121.53 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.2 -22.76 30.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -105.11 -71.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.54 17.68 0.8 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -104.12 167.91 9.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.706 ' NH1' HD22 ' A' ' 11' ' ' LEU . 26.4 mmt-85 -77.25 173.96 11.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.678 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 44.0 p90 -172.71 165.55 5.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -107.29 128.85 25.2 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.536 0.684 . . . . 0.0 110.917 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.442 ' CD ' ' O ' ' A' ' 8' ' ' MET . 54.3 Cg_endo -69.76 -43.66 2.53 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.631 2.221 . . . . 0.0 112.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -8.21 17.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -124.59 -20.18 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' ASP . 62.4 t-20 -47.0 141.72 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.451 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 41.0 m -145.93 163.27 35.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -7.59 5.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -131.49 37.31 3.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.87 -16.24 8.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.477 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 43.4 t -114.73 129.52 56.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER -117.74 99.82 7.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.512 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 22.5 p90 -126.82 -175.83 3.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.98 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.561 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.8 m-70 -116.79 105.24 50.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.671 0.748 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.22 2.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.368 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.66 -147.75 21.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.509 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.81 155.13 76.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 111.144 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.422 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 54.3 Cg_endo -69.76 121.75 8.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.655 2.237 . . . . 0.0 112.422 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.425 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.24 152.74 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.051 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.425 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -136.81 95.84 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.501 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 11.0 p80 -122.39 130.43 53.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.0 m-20 54.58 40.47 31.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.02 8.51 6.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.734 HD23 HG22 ' A' ' 55' ' ' THR . 9.4 mt -101.43 99.07 9.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 12.6 mttp -82.22 121.1 26.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.54 -147.68 4.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.422 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 49.5 m95 -141.7 148.68 39.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.715 0.293 . . . . 0.0 110.978 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -79.19 11.23 2.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 p -96.51 -44.0 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 1.8 p -119.97 178.9 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -92.23 -8.67 44.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.658 ' HG2' HG23 ' A' ' 63' ' ' ILE . 6.6 tpm_? -54.64 137.95 42.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.501 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.9 tpp180 -153.67 129.28 10.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.577 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.0 t -134.22 154.82 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.734 HG22 HD23 ' A' ' 44' ' ' LEU . 72.5 p -101.48 -15.23 17.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 58' ' ' SER . 4.9 t70 -85.23 103.63 14.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' ASP . 53.5 t80 -36.91 -29.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 56' ' ' ASP . 5.6 t -72.63 -50.45 25.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 56' ' ' ASP . 19.6 m-20 -57.81 -40.79 80.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.596 ' CE2' HD23 ' A' ' 61' ' ' LEU . 8.8 t80 -51.17 -47.79 62.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.823 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.596 HD23 ' CE2' ' A' ' 60' ' ' PHE . 5.7 mt -75.82 -5.24 44.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -100.52 -31.23 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.658 HG23 ' HG2' ' A' ' 52' ' ' ARG . 83.4 mt -34.26 105.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 p -59.83 137.57 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.96 145.07 4.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.543 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.412 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 28.6 p -98.27 -10.95 23.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.618 HG22 ' N ' ' A' ' 68' ' ' LYS . 90.7 m -110.38 164.53 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.618 ' N ' HG22 ' A' ' 67' ' ' THR . 36.7 mmtt -127.49 142.19 51.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.32 -155.22 13.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -104.62 123.09 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.678 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 68.1 m-70 -40.75 136.21 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.488 ' ND2' ' OD1' ' A' ' 14' ' ' ASN . 33.2 m-20 -90.81 108.75 20.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.3 p -79.71 8.69 6.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -136.15 144.52 45.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.522 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 25.1 mtmt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 ptp . . . . . 0 N--CA 1.458 -0.039 0 CA-C-O 120.831 0.348 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.14 101.17 6.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 14.4 mt -82.48 140.6 33.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.692 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.2 tp -79.79 125.68 30.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.692 ' N ' HD12 ' A' ' 11' ' ' LEU . 12.3 t -80.28 133.63 36.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -113.35 32.2 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.481 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 87.7 m-20 -99.15 122.88 42.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.6 mtm-85 -43.66 127.96 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.77 -19.36 54.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.25 -71.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.37 18.01 0.82 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -110.84 161.34 15.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -70.76 175.74 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.601 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 34.0 p90 -172.75 166.06 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 26' ' ' ASN . 1.5 m-20 -108.45 127.65 27.09 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.565 0.698 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -44.13 2.23 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.317 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.78 -12.63 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -120.62 -20.9 6.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' ASP . 64.4 t-20 -45.8 137.02 5.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -141.25 164.55 29.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -7.69 5.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.796 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -132.18 38.32 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.35 -15.51 7.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.6 t -114.14 125.6 54.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.499 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -114.0 100.55 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.157 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.481 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 34.5 p90 -126.91 -175.77 3.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.567 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.1 m-70 -116.77 106.51 47.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.803 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 2.92 3.07 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.295 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.72 -148.11 20.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.413 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.16 155.23 76.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.584 0.706 . . . . 0.0 111.129 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 54.0 Cg_endo -69.74 120.63 7.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.266 . . . . 0.0 112.279 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -117.9 152.34 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.068 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.423 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.87 95.99 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.533 ' NE2' ' CZ ' ' A' ' 53' ' ' ARG . 10.3 p80 -122.35 130.67 53.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.1 m-20 54.79 40.57 32.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.35 7.63 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.895 HD23 HG22 ' A' ' 55' ' ' THR . 12.3 mt -100.75 101.46 12.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -84.41 120.43 26.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.27 -147.96 4.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.421 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 51.6 m95 -142.0 149.28 39.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.775 0.321 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.4 t -79.65 11.79 2.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 p -97.56 -41.54 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 p -123.92 179.71 4.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -88.83 -23.63 22.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.645 ' HG2' HG23 ' A' ' 63' ' ' ILE . 4.3 tpm_? -40.62 136.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.533 ' CZ ' ' NE2' ' A' ' 41' ' ' HIS . 11.2 tpp180 -153.76 136.91 15.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.606 HG21 ' HB3' ' A' ' 59' ' ' ASP . 12.9 t -146.81 154.32 41.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.895 HG22 HD23 ' A' ' 44' ' ' LEU . 9.1 p -96.36 -30.15 13.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 59' ' ' ASP . 13.2 m-20 -69.84 104.4 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -41.38 -29.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -71.25 -40.71 70.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.606 ' HB3' HG21 ' A' ' 54' ' ' THR . 24.6 t70 -67.42 -43.25 81.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.415 ' N ' HG21 ' A' ' 54' ' ' THR . 1.9 t80 -50.26 -34.98 25.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mt -81.4 -17.67 48.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -86.83 -32.45 20.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.645 HG23 ' HG2' ' A' ' 52' ' ' ARG . 94.8 mt -33.99 102.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.1 t -61.08 136.22 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -44.35 143.7 2.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.2 p -98.41 -9.34 25.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 68' ' ' LYS . 85.3 m -112.78 164.07 13.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.199 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.6 ' N ' HG22 ' A' ' 67' ' ' THR . 11.1 mmtp -126.25 143.87 50.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.59 -152.45 10.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -109.46 124.03 50.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.601 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 68.9 m-70 -42.6 142.62 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.817 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -102.12 108.23 19.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.8 t -79.84 8.1 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -132.81 132.01 41.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.8 ptp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.746 0.308 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.13 96.89 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.7 mt -79.28 140.17 37.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 12' ' ' CYS . 6.2 tp -81.88 123.64 29.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.509 ' N ' HD12 ' A' ' 11' ' ' LEU . 29.8 t -75.96 137.46 40.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -118.37 34.74 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.531 ' ND2' ' H ' ' A' ' 72' ' ' ASN . 86.4 m-20 -104.3 122.66 45.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -43.75 125.88 4.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.59 -18.32 53.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.3 -71.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.904 0.383 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.08 18.63 0.84 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -109.37 161.4 15.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.769 0.319 . . . . 0.0 110.938 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -71.57 175.66 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.682 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 35.2 p90 -172.68 164.73 5.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.48 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 0.9 OUTLIER -111.29 125.61 30.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 0.0 110.877 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -39.74 6.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -51.43 -17.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.38 -25.74 3.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' THR . 7.6 t-20 -34.5 140.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.0 m -149.09 169.57 20.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.41 -4.78 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -132.22 35.69 3.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.89 -14.69 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.6 t -117.2 126.48 52.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.576 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -115.06 101.93 9.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.07 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 21.1 p90 -127.91 -175.77 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.562 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.1 m-70 -117.32 105.1 49.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 3.25 2.9 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.27 -147.33 20.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.16 155.22 76.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.76 121.99 8.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.306 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.57 151.92 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.49 95.96 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.512 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 9.6 p80 -122.27 130.21 52.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.3 OUTLIER 55.27 39.31 31.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 69.36 7.38 6.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.705 HD23 HG22 ' A' ' 55' ' ' THR . 9.6 mt -100.35 100.54 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -82.97 119.6 24.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.17 -148.36 4.73 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.408 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 56.4 m95 -141.33 149.75 41.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -80.2 12.68 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 p -98.86 -45.42 6.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.41 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 2.4 p -119.4 -176.68 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -92.58 -21.78 19.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.759 ' HG2' HG23 ' A' ' 63' ' ' ILE . 11.9 tpp180 -41.91 134.52 2.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.512 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.2 tpp180 -151.46 124.69 8.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.605 HG21 ' N ' ' A' ' 60' ' ' PHE . 7.5 t -135.5 145.0 46.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.705 HG22 HD23 ' A' ' 44' ' ' LEU . 72.9 p -90.12 -26.27 20.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 58' ' ' SER . 48.1 t0 -70.94 100.77 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ASP . 47.1 t80 -36.52 -30.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 56' ' ' ASP . 8.5 t -71.47 -48.33 49.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.483 ' C ' HG21 ' A' ' 54' ' ' THR . 45.7 m-20 -61.43 -39.59 91.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.605 ' N ' HG21 ' A' ' 54' ' ' THR . 4.9 t80 -54.39 -40.05 67.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.773 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.445 HD23 ' CE2' ' A' ' 60' ' ' PHE . 37.3 mt -81.86 -3.06 53.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 t -104.36 -28.57 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.759 HG23 ' HG2' ' A' ' 52' ' ' ARG . 68.6 mt -34.05 106.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.181 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.75 133.62 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.576 ' C ' HG22 ' A' ' 32' ' ' THR . . . -45.19 145.61 2.38 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.41 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 28.3 p -98.2 -15.21 19.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.586 HG22 ' N ' ' A' ' 68' ' ' LYS . 98.5 m -106.86 162.76 13.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.098 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.586 ' N ' HG22 ' A' ' 67' ' ' THR . 11.2 mmtp -126.27 143.1 51.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.33 -154.85 13.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -104.13 127.64 51.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.765 0.317 . . . . 0.0 110.945 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.682 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 85.7 m-70 -43.68 135.39 3.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.531 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 12.9 m-20 -87.94 101.75 14.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 p -75.51 0.17 18.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -124.89 156.3 38.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 ptp . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.773 0.32 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.93 98.53 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.7 mt -79.3 143.57 35.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.5 tp -83.87 124.48 31.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.646 ' N ' HD12 ' A' ' 11' ' ' LEU . 20.2 t -76.63 141.52 41.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -121.73 35.85 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.521 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 85.8 m-20 -105.75 123.64 48.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -43.17 125.91 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.77 -16.91 58.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -109.18 -71.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.4 19.42 0.44 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -109.04 168.32 9.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.586 ' NH1' HD22 ' A' ' 11' ' ' LEU . 26.5 mmt-85 -76.55 174.27 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.598 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 41.0 p90 -172.74 166.07 5.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -108.29 128.28 25.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.563 0.697 . . . . 0.0 110.925 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -43.78 2.47 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.724 2.283 . . . . 0.0 112.357 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -61.99 -10.5 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 p -125.28 -18.41 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' ASP . 40.6 t-20 -56.52 137.78 52.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.453 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -142.1 -170.23 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -82.47 -0.94 48.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -135.91 32.03 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.02 -13.58 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.543 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 43.6 t -117.18 124.82 50.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.512 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -113.75 97.5 6.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.521 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 27.8 p90 -124.01 -175.67 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.564 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.1 m-70 -116.88 106.43 47.82 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 3.41 2.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.61 -147.99 20.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.99 155.22 76.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 111.175 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 54.1 Cg_endo -69.77 122.5 9.17 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.708 2.272 . . . . 0.0 112.377 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.42 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.83 152.18 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.42 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -135.94 95.5 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.51 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 8.8 p80 -122.78 130.85 53.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.7 m-20 54.71 39.93 31.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.24 11.14 8.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.913 HD23 HG22 ' A' ' 55' ' ' THR . 12.0 mt -103.99 98.78 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -80.82 121.22 25.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.6 -148.37 4.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.47 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.436 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 48.3 m95 -142.15 148.86 38.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 t -78.79 10.35 3.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.79 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 p -96.12 -46.98 6.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.445 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 1.6 p -117.25 -179.05 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -93.41 -11.98 30.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.617 ' HG2' HG23 ' A' ' 63' ' ' ILE . 12.2 tpp85 -51.73 131.45 30.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.51 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -147.86 126.6 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.554 HG21 ' N ' ' A' ' 60' ' ' PHE . 12.3 t -132.37 151.88 51.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.913 HG22 HD23 ' A' ' 44' ' ' LEU . 81.1 p -98.11 -12.81 21.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -91.83 108.57 20.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' A' ' 61' ' ' LEU . 44.8 t80 -40.62 -46.53 2.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.0 t -55.75 -42.69 75.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -70.17 -41.81 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.654 ' CE2' HD23 ' A' ' 61' ' ' LEU . 2.6 t80 -49.93 -43.07 49.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.654 HD23 ' CE2' ' A' ' 60' ' ' PHE . 8.6 mt -77.83 -11.46 59.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.2 t -91.99 -28.71 17.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.617 HG23 ' HG2' ' A' ' 52' ' ' ARG . 64.2 mt -34.0 104.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.1 p -58.73 130.66 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.564 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -41.75 144.15 0.88 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.445 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 29.2 p -98.5 -9.39 25.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.931 0.396 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.599 HG22 ' N ' ' A' ' 68' ' ' LYS . 86.2 m -112.9 163.75 14.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.599 ' N ' HG22 ' A' ' 67' ' ' THR . 14.2 mmtp -126.98 142.51 51.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.47 -152.95 10.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.7 mtt-85 -105.91 129.35 54.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.598 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 77.0 m-70 -48.02 136.12 11.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.518 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 16.2 m-20 -90.75 106.51 18.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.7 p -76.39 2.33 13.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -128.16 150.74 49.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.0 mttt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.6 ptp . . . . . 0 N--CA 1.46 0.054 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.52 100.84 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 15.6 mt -79.96 141.68 35.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.639 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.8 tp -83.92 127.24 33.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.639 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.3 t -79.56 143.08 35.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.536 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 91.3 m-85 -123.35 31.51 5.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.491 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 85.5 m-20 -96.99 128.77 44.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.432 ' HB3' ' CH2' ' A' ' 47' ' ' TRP . 32.7 mtp85 -50.67 112.81 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.33 -9.31 28.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.6 t -116.47 -70.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.99 19.58 0.58 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -108.03 164.52 12.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 110.968 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.618 ' NH1' HD22 ' A' ' 11' ' ' LEU . 23.3 mmt-85 -75.79 173.45 11.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.669 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 43.0 p90 -172.19 166.9 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -108.74 128.11 26.14 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.656 0.741 . . . . 0.0 110.86 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -43.96 2.4 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -10.08 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 p -123.91 -19.59 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 27' ' ' SER . 58.4 t-20 -44.27 140.26 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.466 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 6.4 m -145.38 173.43 12.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.36 -7.13 45.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -132.31 37.01 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.7 -15.59 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 33.5 t -117.19 129.98 56.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.57 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.6 m -117.13 104.17 10.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.491 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 32.9 p90 -130.89 -175.81 3.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.55 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.8 m-70 -117.51 108.01 43.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -2.42 10.16 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.98 -148.4 24.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.571 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.23 155.14 76.0 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.704 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 108.96 2.19 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.306 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.432 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -106.98 153.31 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.432 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -136.92 96.12 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.549 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.28 130.85 53.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.9 OUTLIER 53.66 41.67 32.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.8 6.53 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.029 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.477 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 8.4 mt -99.25 93.37 5.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.975 0.417 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 11.8 mttp -80.25 117.21 20.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.98 -148.64 4.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.435 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.432 ' CH2' ' HB3' ' A' ' 15' ' ' ARG . 68.5 m95 -134.19 152.5 51.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.5 p -83.62 9.88 10.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.6 p -95.98 -50.73 4.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.6 p -112.78 -176.47 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -93.35 -16.86 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.659 ' HG2' HG23 ' A' ' 63' ' ' ILE . 13.0 tpp180 -44.21 133.73 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.549 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.8 tpp180 -153.12 138.22 17.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.802 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 t -142.86 148.85 37.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.47 ' CG2' HD23 ' A' ' 44' ' ' LEU . 4.4 p -89.87 -19.09 25.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -81.18 124.44 29.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -56.29 -30.86 63.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.5 t -73.41 -60.52 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -46.37 -37.7 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -50.49 -40.96 52.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt -78.17 -12.67 60.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -87.21 -31.02 20.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.659 HG23 ' HG2' ' A' ' 52' ' ' ARG . 79.4 mt -33.99 102.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.27 138.1 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.57 ' C ' HG22 ' A' ' 32' ' ' THR . . . -47.4 143.41 5.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.3 p -99.26 -20.75 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.588 HG22 ' N ' ' A' ' 68' ' ' LYS . 87.4 m -101.08 163.28 12.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.588 ' N ' HG22 ' A' ' 67' ' ' THR . 6.5 mmtm -126.31 144.89 50.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.67 -149.54 8.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -109.61 127.76 54.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.669 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 66.5 m-70 -47.1 139.32 5.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -96.64 103.37 15.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.5 p -75.01 3.38 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -116.33 151.61 35.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.536 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 ptp . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.88 98.34 9.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 10.4 mt -79.3 138.79 37.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 12' ' ' CYS . 4.8 tp -79.68 125.04 29.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.576 ' N ' HD12 ' A' ' 11' ' ' LEU . 16.8 t -77.42 140.77 39.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -120.97 33.26 5.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.478 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 85.5 m-20 -102.77 125.93 49.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -46.06 123.64 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.64 -21.21 39.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.6 -70.97 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.38 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.29 18.85 0.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -110.06 164.61 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -73.13 171.88 12.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.604 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 44.8 p90 -170.33 165.72 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -108.24 128.2 26.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.61 0.719 . . . . 0.0 110.818 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -43.77 2.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -60.62 -11.71 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -125.16 -19.68 5.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . 37.4 t-20 -54.36 132.11 43.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.45 -170.06 2.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -82.09 -1.46 48.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -135.09 32.11 3.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.17 -12.78 10.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.566 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 47.4 t -117.2 125.62 51.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.558 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.1 m -113.8 96.54 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.478 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 39.4 p90 -123.58 -175.8 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.495 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.7 m-70 -117.58 108.98 42.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.594 0.711 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.4 3.56 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.744 2.296 . . . . 0.0 112.326 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.56 -149.94 23.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.95 155.14 76.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 111.114 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.82 117.14 4.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -116.28 154.2 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 m-85 -136.78 95.98 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.55 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.45 130.46 53.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 10.7 m-20 53.77 41.89 31.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.55 6.72 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.719 HD23 HG22 ' A' ' 55' ' ' THR . 9.5 mt -99.65 99.26 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -84.71 117.7 23.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.75 -150.79 5.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.445 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 64.6 m95 -135.67 149.95 49.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.302 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.0 t -79.88 12.1 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.6 p -99.21 -50.61 4.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.9 p -114.09 179.96 3.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -89.65 -20.97 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.792 ' HG2' HG23 ' A' ' 63' ' ' ILE . 18.7 tpp180 -41.78 130.12 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.55 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -146.95 136.8 23.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.499 HG21 ' N ' ' A' ' 60' ' ' PHE . 10.7 t -148.44 146.24 28.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.719 HG22 HD23 ' A' ' 44' ' ' LEU . 23.7 p -90.25 -27.26 19.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 59' ' ' ASP . 7.0 t0 -71.56 104.5 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -41.09 -35.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -67.23 -40.76 86.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -68.3 -41.77 80.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.499 ' N ' HG21 ' A' ' 54' ' ' THR . 1.3 t80 -52.3 -36.36 52.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.415 HD23 ' CE2' ' A' ' 60' ' ' PHE . 12.1 mt -79.57 -18.5 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.3 t -86.21 -30.88 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.792 HG23 ' HG2' ' A' ' 52' ' ' ARG . 80.9 mt -34.04 101.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.217 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.9 p -58.87 139.29 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.069 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.558 ' C ' HG22 ' A' ' 32' ' ' THR . . . -47.16 143.91 5.31 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.441 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 p -99.04 -14.17 19.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.591 HG22 ' N ' ' A' ' 68' ' ' LYS . 91.0 m -108.44 163.97 12.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.591 ' N ' HG22 ' A' ' 67' ' ' THR . 31.7 mmtt -127.35 142.15 51.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.6 -154.63 13.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.1 mtm105 -103.71 127.91 51.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.604 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 63.7 m-70 -47.51 140.99 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.454 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 20.0 m-20 -96.83 108.68 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.6 p -83.25 16.14 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -136.32 133.67 37.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.9 mttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.756 0.312 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.5 101.54 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.054 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.8 mt -80.92 136.04 35.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.721 HD12 ' N ' ' A' ' 12' ' ' CYS . 1.5 tp -79.79 122.13 26.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.721 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.7 t -78.27 134.07 37.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.405 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 94.3 m-85 -111.76 11.5 20.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.498 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 87.3 m-20 -77.5 126.37 30.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.817 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -47.87 130.42 14.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.04 -17.96 57.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -108.27 -71.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.949 0.404 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.19 17.9 1.15 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.549 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -109.19 169.82 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -80.86 173.57 12.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.815 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.671 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 37.3 p90 -171.71 163.99 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.485 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 15.6 m-20 -111.28 126.36 28.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -38.43 7.84 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.46 -16.45 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.59 -25.67 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' THR . 9.5 t-20 -34.26 138.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.405 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 5.0 m -144.46 174.59 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.5 -3.2 23.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -134.73 36.45 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.82 -13.56 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.567 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.0 t -117.22 123.66 47.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.506 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -111.19 96.2 5.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 38.3 p90 -123.24 -175.68 3.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.517 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.5 m-70 -117.69 108.41 43.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.59 0.709 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.55 3.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.342 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.97 -150.08 23.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.98 155.13 76.43 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.68 0.752 . . . . 0.0 111.07 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.6 Cg_endo -69.79 117.72 5.25 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -117.48 153.96 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.447 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 m-85 -136.73 96.13 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.551 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.41 128.89 51.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.424 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.4 m-20 55.11 41.67 31.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.71 6.01 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.757 HD23 HG22 ' A' ' 55' ' ' THR . 8.1 mt -98.94 97.67 8.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -83.25 117.61 23.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.98 -151.73 5.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.406 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 65.5 m95 -134.79 150.09 50.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.787 0.327 . . . . 0.0 110.984 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.4 t -80.3 13.06 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.1 p -100.21 -49.36 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 p -115.54 -178.32 3.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' ARG . 10.6 mtmt -89.32 -26.87 20.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.691 ' HG2' HG23 ' A' ' 63' ' ' ILE . 2.3 tpm_? -35.03 135.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.937 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.551 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -153.72 128.2 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.59 HG22 HD11 ' A' ' 63' ' ' ILE . 11.0 t -139.31 140.35 37.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.757 HG22 HD23 ' A' ' 44' ' ' LEU . 38.5 p -83.98 -27.83 28.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -70.75 104.68 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -42.45 -28.32 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -72.3 -47.44 49.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.82 -40.67 97.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.55 ' N ' HG21 ' A' ' 54' ' ' THR . 2.4 t80 -50.09 -38.32 38.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.6 mt -79.37 -18.54 52.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 t -86.17 -30.44 22.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.691 HG23 ' HG2' ' A' ' 52' ' ' ARG . 90.9 mt -35.36 101.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.183 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 64' ' ' VAL . 1.4 p -57.13 147.12 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.517 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -54.42 143.57 30.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.502 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.5 p -98.71 -10.94 22.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.598 HG22 ' N ' ' A' ' 68' ' ' LYS . 86.0 m -111.99 164.04 13.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.095 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.598 ' N ' HG22 ' A' ' 67' ' ' THR . 34.4 mmtt -127.03 143.17 51.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.91 -154.63 13.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -103.5 127.99 50.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.671 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 79.1 m-70 -47.87 133.81 13.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 29.2 p-10 -89.74 104.99 17.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.8 p -79.02 6.67 8.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -113.7 147.37 38.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.4 ptp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.732 0.301 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.99 101.51 8.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 14.2 mt -81.79 138.98 35.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.5 tp -79.73 122.19 26.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.625 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.3 t -71.09 145.14 50.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 60.0 m-85 -126.53 37.22 4.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.522 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 85.9 m-20 -108.52 122.56 47.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -43.92 120.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.97 -16.25 36.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.514 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 t -113.29 -71.14 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.897 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.2 18.03 0.77 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -105.89 168.68 8.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.948 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -77.3 170.33 16.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.633 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 44.9 p90 -170.21 165.19 9.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.482 ' HB2' HG23 ' A' ' 25' ' ' THR . 0.6 OUTLIER -108.74 128.52 25.38 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.547 0.689 . . . . 0.0 110.913 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.92 2.36 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.64 2.227 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.63 -15.12 6.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.482 HG23 ' HB2' ' A' ' 22' ' ' ASP . 0.2 OUTLIER -119.26 -25.37 6.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.176 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 27' ' ' SER . 53.2 t-20 -37.4 139.66 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 6.9 m -144.75 170.08 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -69.1 -7.98 41.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.3 p30 -132.89 35.18 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.42 -14.91 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.055 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 44.4 t -117.2 132.15 56.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.816 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.546 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.3 m -119.18 99.99 7.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.522 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 29.7 p90 -127.37 -175.85 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.492 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.7 m-70 -117.06 107.35 45.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 2.95 3.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.59 -150.0 24.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.24 155.08 77.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.689 0.757 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.76 119.16 6.15 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.674 2.249 . . . . 0.0 112.367 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -119.29 153.62 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.028 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.78 95.98 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.552 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.38 130.05 52.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.7 OUTLIER 54.19 42.08 31.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.53 6.6 5.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.595 HD23 HG22 ' A' ' 55' ' ' THR . 8.1 mt -99.34 98.89 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -84.97 116.72 23.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.97 -150.92 5.29 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.525 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.409 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 63.7 m95 -135.2 149.84 49.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.8 t -79.72 11.83 2.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 p -97.68 -51.37 4.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.8 p -113.79 -176.05 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 52' ' ' ARG . 13.4 mtpp -90.73 -28.04 18.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.677 ' HG2' HG23 ' A' ' 63' ' ' ILE . 16.3 tpp180 -34.44 133.84 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.552 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.6 tpp180 -153.11 125.37 8.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.65 HG21 ' N ' ' A' ' 60' ' ' PHE . 13.1 t -132.13 150.03 52.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.595 HG22 HD23 ' A' ' 44' ' ' LEU . 52.9 p -92.16 -29.53 16.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' SER . 68.3 m-20 -71.95 105.93 4.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -39.18 -28.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' ASP . 2.4 t -71.94 -53.12 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.45 ' C ' HG21 ' A' ' 54' ' ' THR . 0.9 OUTLIER -54.19 -42.25 69.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.65 ' N ' HG21 ' A' ' 54' ' ' THR . 2.9 t80 -51.06 -37.92 48.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.1 mt -81.02 -14.5 57.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.4 t -91.45 -31.67 15.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.677 HG23 ' HG2' ' A' ' 52' ' ' ARG . 90.4 mt -34.11 101.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.73 140.26 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.546 ' C ' HG22 ' A' ' 32' ' ' THR . . . -47.24 145.55 4.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.8 p -99.48 -18.56 17.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.942 0.401 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.621 HG22 ' N ' ' A' ' 68' ' ' LYS . 95.4 m -103.99 164.67 11.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.621 ' N ' HG22 ' A' ' 67' ' ' THR . 15.9 mmtp -127.13 143.74 51.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.44 -154.68 13.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -104.39 126.02 51.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.387 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.633 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 61.4 m-70 -44.12 134.68 4.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.518 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 12.4 m-20 -90.34 108.51 19.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -81.92 6.6 15.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -133.2 127.34 33.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.569 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 20.2 mmtt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 ptp . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.2 95.84 10.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 9.7 mt -79.72 139.25 37.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.8 tp -79.99 123.54 27.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.649 ' N ' HD12 ' A' ' 11' ' ' LEU . 28.3 t -79.5 138.55 37.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.582 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 94.5 m-85 -119.48 35.22 4.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.497 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 89.3 m-20 -96.92 157.44 15.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.429 ' HB3' ' CZ3' ' A' ' 47' ' ' TRP . 6.2 mmt85 -69.51 115.33 8.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.42 -30.8 9.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -89.12 -72.34 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.14 19.32 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -114.19 170.34 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 110.959 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.532 ' NH1' HD22 ' A' ' 11' ' ' LEU . 17.9 mmt-85 -73.85 175.09 7.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 34.2 p90 -172.81 165.55 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.473 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 1.1 m-20 -111.59 122.51 37.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.721 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -39.13 6.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 0.0 112.427 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -50.78 -17.94 0.64 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -127.06 -26.39 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -39.67 130.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.52 -170.56 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -81.78 -1.07 45.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -136.33 34.81 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.59 -12.31 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.489 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 41.0 t -117.19 123.31 46.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.502 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -109.5 100.33 9.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.497 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 50.1 p90 -127.58 -175.63 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.462 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 92.2 m-70 -119.55 113.34 34.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.596 0.712 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 3.17 2.95 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.78 -149.77 16.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.538 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.86 155.02 76.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.9 Cg_endo -69.75 106.82 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.329 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -103.42 154.34 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.457 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.4 m-85 -136.77 95.7 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.55 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.75 131.13 53.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.8 OUTLIER 53.49 41.52 32.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 66.93 9.36 6.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.684 HD23 HG22 ' A' ' 55' ' ' THR . 10.5 mt -101.67 95.0 6.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -80.74 117.58 21.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.52 -150.9 5.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.43 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 54.9 m95 -134.82 146.69 49.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.738 0.304 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.5 t -78.32 9.54 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 p -97.3 -48.01 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.7 p -113.29 -179.18 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -93.4 -15.05 26.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.519 ' HG2' HG23 ' A' ' 63' ' ' ILE . 4.2 tpm_? -48.95 132.49 18.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.55 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 11.4 tpp180 -149.22 135.53 19.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.504 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.2 t -141.68 154.86 45.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.684 HG22 HD23 ' A' ' 44' ' ' LEU . 47.3 p -99.8 -24.48 14.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' PHE . 32.1 t0 -75.78 101.72 5.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' ASP . 6.2 t80 -37.19 -40.74 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 m -64.58 -49.2 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -60.4 -39.81 88.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.504 ' N ' HG21 ' A' ' 54' ' ' THR . 2.0 t80 -52.39 -44.28 65.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.473 HD23 ' CE2' ' A' ' 60' ' ' PHE . 52.5 mt -71.9 -11.58 60.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.3 t -89.2 -31.43 17.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.519 HG23 ' HG2' ' A' ' 52' ' ' ARG . 88.5 mt -34.07 100.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.16 137.63 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.502 ' C ' HG22 ' A' ' 32' ' ' THR . . . -42.8 142.76 1.57 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.9 p -99.07 -12.77 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.535 HG22 ' N ' ' A' ' 68' ' ' LYS . 32.0 m -111.77 161.48 16.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.535 ' N ' HG22 ' A' ' 67' ' ' THR . 12.6 mmtp -123.18 147.14 47.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.2 -152.36 12.04 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.377 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -107.75 130.27 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.736 0.303 . . . . 0.0 110.9 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.618 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 76.9 m-70 -46.88 136.01 8.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.44 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 16.9 m-20 -92.02 108.77 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 p -81.37 6.09 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -106.8 127.2 53.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.582 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 36.8 mttm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.837 0.351 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.06 100.58 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 15.3 mt -79.33 142.28 36.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.679 HD22 ' NH1' ' A' ' 20' ' ' ARG . 2.1 tp -85.54 122.55 29.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.645 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.0 t -77.93 126.9 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 93.2 m-85 -102.99 6.95 39.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.849 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.492 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 90.3 m-20 -73.51 131.57 41.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -53.7 131.26 38.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.89 -21.63 44.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.503 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.34 -71.59 0.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.829 0.347 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.04 16.38 1.87 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.03 169.99 8.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.679 ' NH1' HD22 ' A' ' 11' ' ' LEU . 15.2 mmt-85 -81.15 174.69 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.623 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 40.7 p90 -172.67 164.27 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.486 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 56.1 m-20 -111.76 126.18 28.98 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.633 0.73 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -35.47 12.55 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -13.2 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.486 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -128.19 -27.9 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 27' ' ' SER . 63.4 t-20 -34.04 139.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.477 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 5.8 m -142.06 -178.47 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -78.33 -5.85 53.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -134.46 36.61 3.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.23 -13.56 9.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.5 t -117.16 128.8 55.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.485 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -116.05 96.32 5.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.487 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 36.8 p90 -124.2 -175.75 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.526 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.3 m-70 -117.24 108.53 43.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 3.26 2.91 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.68 2.253 . . . . 0.0 112.366 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.82 -148.56 20.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.09 155.21 76.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 111.171 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.6 Cg_endo -69.72 117.79 5.29 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.718 2.279 . . . . 0.0 112.414 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.43 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -114.5 152.55 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.185 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.43 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -136.52 95.86 3.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.519 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 9.5 p80 -122.48 130.6 53.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 4.6 m-20 54.97 39.49 31.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.87 8.44 6.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.691 HD23 ' CG2' ' A' ' 55' ' ' THR . 9.1 mt -101.26 100.08 10.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -82.63 119.98 24.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.97 -148.66 4.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.42 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 53.5 m95 -140.83 149.03 41.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.809 0.338 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -79.38 11.01 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.3 p -98.8 -43.42 6.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -120.97 179.57 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -91.24 -18.14 24.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.8 ' HG2' HG23 ' A' ' 63' ' ' ILE . 11.9 tpt180 -46.16 125.25 6.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.519 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.3 tpp180 -142.31 127.67 18.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.602 HG21 ' N ' ' A' ' 60' ' ' PHE . 14.2 t -135.45 151.6 50.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.691 ' CG2' HD23 ' A' ' 44' ' ' LEU . 65.4 p -97.4 -23.24 16.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' ASP . 14.0 t0 -78.12 105.81 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.881 ' CZ ' HD11 ' A' ' 61' ' ' LEU . 19.6 t80 -40.14 -37.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -66.0 -39.44 90.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.788 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' ASP . 73.8 m-20 -71.4 -40.58 70.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.823 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.602 ' N ' HG21 ' A' ' 54' ' ' THR . 2.7 t80 -53.07 -42.94 66.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.881 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 4.3 mt -75.62 -13.04 60.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 t -90.51 -28.13 18.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.796 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.8 HG23 ' HG2' ' A' ' 52' ' ' ARG . 73.5 mt -35.59 102.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.1 p -58.79 137.28 21.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.526 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.45 142.91 4.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.464 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.4 p -98.08 -10.89 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.623 HG22 ' N ' ' A' ' 68' ' ' LYS . 95.6 m -111.78 164.75 12.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.623 ' N ' HG22 ' A' ' 67' ' ' THR . 9.0 mmtp -127.84 144.03 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.96 -154.98 15.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -103.49 126.86 50.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.623 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 73.2 m-70 -46.06 134.88 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 30.5 p-10 -90.88 110.12 21.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.2 t -82.19 18.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -142.25 128.46 19.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.56 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.8 ptp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.762 0.315 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.05 101.93 8.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.7 mt -82.25 135.84 35.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.4 tp -79.89 129.16 34.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.659 ' N ' HD12 ' A' ' 11' ' ' LEU . 13.6 t -85.74 138.05 32.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 96.5 m-85 -113.74 11.59 18.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.867 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 87.1 m-20 -77.2 125.36 29.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -45.6 128.42 8.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.78 -22.29 41.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.25 -71.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.908 0.385 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.22 19.38 0.64 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -112.94 171.34 7.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.587 ' NH1' HD22 ' A' ' 11' ' ' LEU . 22.0 mmt-85 -80.39 173.25 12.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.617 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 38.2 p90 -171.74 164.64 6.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -106.82 128.1 26.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -44.0 2.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -11.49 12.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 p -120.61 -23.73 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 27' ' ' SER . 55.5 t-20 -41.07 140.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.478 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 4.4 m -144.81 162.93 35.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -7.36 6.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 29' ' ' ASP . 48.6 p30 -133.44 38.89 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.27 -12.03 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 44.7 t -117.21 122.59 44.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -111.12 97.1 6.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.483 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 24.4 p90 -124.97 -175.73 3.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.567 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.1 m-70 -116.98 105.95 48.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.606 0.717 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 3.11 2.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.49 -147.43 20.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.95 155.26 76.4 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.62 0.724 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.4 Cg_endo -69.79 122.06 8.74 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.4 151.96 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.414 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -136.73 96.04 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.481 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 10.2 p80 -122.28 130.99 53.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 5.3 m-20 54.79 38.58 30.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 71.45 2.62 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.826 HD23 HG22 ' A' ' 55' ' ' THR . 8.1 mt -95.98 104.18 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -86.75 119.95 27.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.43 -148.2 4.69 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.405 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 56.7 m95 -140.99 149.87 42.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.4 p -79.92 12.15 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 p -98.71 -44.07 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 p -120.27 -177.49 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -92.68 -21.28 20.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.789 ' HG2' HG23 ' A' ' 63' ' ' ILE . 26.0 tpt180 -42.35 136.39 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.481 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.9 tpp180 -152.35 137.73 17.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.513 HG21 ' CB ' ' A' ' 59' ' ' ASP . 15.0 t -148.66 148.62 30.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.826 HG22 HD23 ' A' ' 44' ' ' LEU . 11.6 p -90.53 -29.44 17.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 59' ' ' ASP . 15.2 t0 -72.44 108.69 5.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.896 ' CZ ' HD11 ' A' ' 61' ' ' LEU . 24.5 t80 -43.28 -34.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.7 m -66.73 -37.68 85.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.513 ' CB ' HG21 ' A' ' 54' ' ' THR . 4.4 m-20 -69.74 -43.26 72.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.481 ' N ' HG21 ' A' ' 54' ' ' THR . 1.4 t80 -53.97 -32.77 54.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.896 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 8.3 mt -85.03 -9.94 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.2 t -97.57 -29.51 13.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.789 HG23 ' HG2' ' A' ' 52' ' ' ARG . 71.6 mt -34.19 104.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 45.8 t -59.65 130.33 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.053 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -41.48 143.84 0.83 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.9 p -98.7 -10.53 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.929 0.395 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.601 HG22 ' N ' ' A' ' 68' ' ' LYS . 86.4 m -111.51 163.98 13.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.178 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.601 ' N ' HG22 ' A' ' 67' ' ' THR . 29.8 mmtt -126.94 143.34 51.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.14 -152.17 10.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -108.2 126.42 52.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 110.796 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.617 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 69.1 m-70 -44.58 132.61 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 29.6 p-10 -89.46 105.68 17.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t -77.1 4.18 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -128.72 126.26 39.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 2.1 mmmp? . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.1 ptp . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.863 0.363 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.08 102.15 9.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 10.9 mt -83.33 138.09 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.0 tp -79.94 119.43 22.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.568 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.8 t -68.2 145.43 54.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' ASN . 73.1 m-85 -125.52 37.19 4.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.485 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 83.8 m-20 -107.7 124.96 50.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -45.63 119.33 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.48 -18.85 32.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 t -108.67 -71.15 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.72 18.55 0.69 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.562 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -108.05 169.53 8.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.857 0.36 . . . . 0.0 110.812 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -78.65 171.04 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.635 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 47.0 p90 -170.16 168.5 8.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.485 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 30.2 m-20 -113.41 124.98 30.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.62 0.724 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -37.83 8.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.611 2.207 . . . . 0.0 112.374 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HG3' HG22 ' A' ' 25' ' ' THR . 19.4 pt-20 -53.9 -16.68 1.95 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -127.04 -25.28 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -40.01 127.64 2.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.82 -170.23 2.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 0.7 OUTLIER -81.78 -0.81 44.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -135.83 33.29 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.85 -14.15 10.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.568 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 51.0 t -116.93 131.58 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.568 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -119.28 98.6 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.485 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 27.4 p90 -125.71 -175.75 3.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.565 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.4 m-70 -117.51 106.79 45.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.488 0.661 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.44 2.75 Favored 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.665 2.243 . . . . 0.0 112.364 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.36 -149.61 22.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.95 155.17 76.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.661 0.743 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.2 Cg_endo -69.82 122.01 8.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -122.85 131.63 72.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.43 95.72 4.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.418 ' NE2' ' HD2' ' A' ' 53' ' ' ARG . 3.4 p80 -122.78 131.53 53.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.557 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 6.3 m-20 55.31 36.22 26.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 74.68 5.6 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.597 HD23 HG22 ' A' ' 55' ' ' THR . 10.5 mt -98.68 101.54 12.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -92.97 117.02 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.68 -147.54 4.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.425 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 30.3 m95 -138.0 145.81 42.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.68 0.276 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.7 p -76.42 6.82 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.3 p -91.42 -39.85 11.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 p -122.75 175.51 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -86.81 -22.12 26.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.739 ' HG2' HG23 ' A' ' 63' ' ' ILE . 10.6 tpt180 -44.64 135.63 4.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' CG ' ' HB3' ' A' ' 44' ' ' LEU . 2.3 tpp85 -151.42 129.29 11.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.478 HG21 ' N ' ' A' ' 60' ' ' PHE . 14.4 t -129.05 162.32 27.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.597 HG22 HD23 ' A' ' 44' ' ' LEU . 71.9 p -109.85 -6.57 15.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 59' ' ' ASP . 2.7 m-20 -100.12 114.66 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -43.62 -41.48 4.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.5 t -64.51 -32.93 74.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' ASP . 34.9 m-20 -73.14 -40.08 65.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.579 ' CE2' HD23 ' A' ' 61' ' ' LEU . 1.2 t80 -52.76 -35.8 56.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.579 HD23 ' CE2' ' A' ' 60' ' ' PHE . 1.0 OUTLIER -83.38 -10.98 58.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.1 t -90.48 -33.44 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.739 HG23 ' HG2' ' A' ' 52' ' ' ARG . 88.3 mt -36.61 104.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' GLY . 1.4 p -61.91 130.16 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.568 ' C ' HG22 ' A' ' 32' ' ' THR . . . -38.3 144.18 0.23 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.5 p -99.02 -17.37 18.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.585 HG22 ' N ' ' A' ' 68' ' ' LYS . 88.4 m -103.74 163.07 12.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.585 ' N ' HG22 ' A' ' 67' ' ' THR . 30.5 mmtt -126.36 141.34 51.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.29 -153.81 11.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -103.66 131.38 50.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.635 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 68.3 m-70 -51.46 135.41 27.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.451 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 19.7 m-20 -91.76 102.79 15.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.7 t -71.18 -2.89 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.418 ' N ' ' CD ' ' A' ' 74' ' ' GLU . 9.0 mp0 -124.67 151.99 44.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.928 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.79 0.328 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.0 98.85 6.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.0 mt -79.29 142.76 35.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 12' ' ' CYS . 6.8 tp -85.92 118.88 25.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.428 ' N ' HD12 ' A' ' 11' ' ' LEU . 13.2 t -71.6 137.78 48.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 93.8 m-85 -118.28 31.65 6.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.566 ' ND2' ' H ' ' A' ' 72' ' ' ASN . 86.0 m-20 -100.5 125.54 46.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -45.52 122.53 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.23 -25.22 24.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.62 -71.07 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.27 18.39 0.86 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -111.9 161.18 16.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -71.06 172.5 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.629 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 41.6 p90 -170.26 165.94 8.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.489 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 26.8 m-20 -112.72 125.82 29.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.661 0.743 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.28 7.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -53.21 -15.77 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.489 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.9 -27.43 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 -179.885 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 27' ' ' SER . 61.1 t-20 -36.07 136.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.422 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 4.6 m -142.59 179.34 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.44 -3.82 32.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -134.51 36.76 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.76 -14.52 8.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.2 t -117.13 122.23 43.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.563 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -111.1 97.17 6.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.144 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.482 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 27.4 p90 -123.54 -175.75 3.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.564 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.9 m-70 -117.15 106.29 47.51 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.535 0.683 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.83 -147.5 20.84 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.541 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.1 155.19 76.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.688 0.756 . . . . 0.0 111.091 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.3 Cg_endo -69.77 121.25 7.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.75 2.3 . . . . 0.0 112.262 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -118.3 151.9 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.414 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -136.68 96.03 3.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.467 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 12.2 p80 -122.18 130.43 53.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.511 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 2.0 m-20 54.74 38.54 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 72.28 -0.07 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.605 HD23 HG22 ' A' ' 55' ' ' THR . 7.6 mt -93.18 103.54 15.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -87.02 120.38 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.74 -148.07 4.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.413 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 55.9 m95 -141.19 150.03 42.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.8 t -80.0 12.2 2.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 p -99.12 -41.27 7.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.0 p -124.67 -178.56 4.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' ARG . 11.8 mtmt -89.44 -27.92 20.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.754 ' HG2' HG23 ' A' ' 63' ' ' ILE . 8.2 tpm_? -35.36 133.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.467 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.1 tpp180 -151.33 128.75 11.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.549 HG21 ' N ' ' A' ' 60' ' ' PHE . 14.7 t -138.68 150.35 46.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.605 HG22 HD23 ' A' ' 44' ' ' LEU . 75.3 p -93.95 -28.51 15.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' SER . 15.0 t0 -69.88 101.58 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' ASP . 81.4 t80 -35.82 -31.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 56' ' ' ASP . 98.7 p -72.44 -53.25 12.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.495 ' C ' HG21 ' A' ' 54' ' ' THR . 1.0 OUTLIER -56.21 -33.49 65.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.549 ' N ' HG21 ' A' ' 54' ' ' THR . 2.4 t80 -60.6 -38.69 85.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.799 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.426 HD23 ' CE2' ' A' ' 60' ' ' PHE . 2.0 mt -81.66 -7.63 59.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.4 t -96.99 -29.8 13.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.754 HG23 ' HG2' ' A' ' 52' ' ' ARG . 71.1 mt -34.04 104.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.3 p -57.18 134.99 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.084 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.564 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -45.52 145.02 2.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 p -98.26 -12.62 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.592 HG22 ' N ' ' A' ' 68' ' ' LYS . 93.4 m -109.78 163.09 13.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.592 ' N ' HG22 ' A' ' 67' ' ' THR . 37.7 mmtt -126.09 143.55 51.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.9 -154.32 13.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -104.69 130.94 52.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.323 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.629 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 78.5 m-70 -47.42 134.39 11.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.566 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 7.3 m-20 -89.74 108.34 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.1 p -82.47 10.44 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -121.69 144.54 48.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.474 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 41.9 mtmt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.64 100.34 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.3 mt -81.21 138.42 35.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.655 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.3 tp -79.85 121.67 25.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.655 ' N ' HD12 ' A' ' 11' ' ' LEU . 38.2 t -73.45 139.05 45.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.468 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 66.2 m-85 -122.09 40.63 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.52 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 83.9 m-20 -109.11 120.38 42.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -41.42 118.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.3 -11.66 39.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 t -117.46 -71.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.378 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.75 18.67 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.414 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -106.88 166.9 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.472 ' NH1' HD22 ' A' ' 11' ' ' LEU . 16.7 mmt-85 -76.34 173.89 10.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.644 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 29.9 p90 -172.75 165.15 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.487 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 3.5 m-20 -112.33 125.21 30.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.552 0.691 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -37.34 9.22 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.719 2.279 . . . . 0.0 112.293 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.24 -18.18 3.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -124.63 -20.4 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.495 ' OD1' ' NE ' ' A' ' 70' ' ' ARG . 21.2 t-20 -34.21 146.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.475 ' OG ' ' HB2' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -148.48 165.07 32.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.89 -1.27 9.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 29' ' ' ASP . 43.8 p30 -136.37 26.21 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.797 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.475 ' HB2' ' OG ' ' A' ' 27' ' ' SER . . . -106.49 -13.74 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.3 t -117.2 126.7 53.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.546 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -115.35 99.32 7.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.52 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 27.7 p90 -124.62 -175.77 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.529 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.7 m-70 -116.78 106.8 47.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 34' ' ' HIS . 54.5 Cg_endo -69.68 2.83 3.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.95 -147.56 20.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.03 155.23 76.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.509 0.671 . . . . 0.0 111.199 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.78 121.59 8.27 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -118.83 152.1 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.421 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.64 96.12 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.509 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 9.4 p80 -122.25 130.26 53.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.0 OUTLIER 54.97 39.96 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 69.14 7.0 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.927 HD23 HG22 ' A' ' 55' ' ' THR . 10.4 mt -100.05 101.82 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -84.16 120.56 26.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.1 -148.3 4.71 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.412 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 54.6 m95 -141.71 149.6 40.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.772 0.32 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.6 p -79.79 11.91 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.9 p -98.79 -43.78 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.3 p -121.1 -178.38 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -91.18 -22.46 20.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.787 ' HG2' HG23 ' A' ' 63' ' ' ILE . 17.5 tpt180 -40.93 134.13 2.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.509 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.4 tpp180 -150.85 128.71 11.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.63 HG21 ' N ' ' A' ' 60' ' ' PHE . 13.3 t -138.4 143.56 39.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.199 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.927 HG22 HD23 ' A' ' 44' ' ' LEU . 33.9 p -86.67 -27.91 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -73.57 106.28 5.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -40.86 -33.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -67.41 -47.37 70.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.444 ' C ' HG21 ' A' ' 54' ' ' THR . 20.1 m-20 -61.67 -42.37 98.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.63 ' N ' HG21 ' A' ' 54' ' ' THR . 1.9 t80 -52.67 -40.25 62.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.554 HD23 ' CE2' ' A' ' 60' ' ' PHE . 14.2 mt -79.13 -7.3 58.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.6 t -99.98 -27.91 13.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.787 HG23 ' HG2' ' A' ' 52' ' ' ARG . 61.6 mt -34.12 102.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -55.54 128.83 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.546 ' C ' HG22 ' A' ' 32' ' ' THR . . . -39.87 144.32 0.42 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.7 p -98.63 -14.16 20.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.624 HG22 ' N ' ' A' ' 68' ' ' LYS . 90.3 m -107.59 165.26 11.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.624 ' N ' HG22 ' A' ' 67' ' ' THR . 23.1 mmtt -127.0 140.57 52.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.85 -156.74 16.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.495 ' NE ' ' OD1' ' A' ' 26' ' ' ASN . 27.0 mtp180 -104.1 133.09 49.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.644 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 84.4 m-70 -49.12 134.86 17.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.499 ' ND2' ' OD1' ' A' ' 14' ' ' ASN . 33.2 m-20 -91.58 107.89 19.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.8 p -80.73 9.97 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -131.51 134.91 46.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 6.9 mtpm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 ptp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.865 0.364 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.96 99.56 7.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.2 mt -80.39 137.66 36.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.7 tp -79.75 126.59 31.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.7 ' N ' HD12 ' A' ' 11' ' ' LEU . 11.0 t -74.95 142.83 43.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' ASN . 74.1 m-85 -122.28 35.37 4.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 82.1 m-20 -107.17 125.69 51.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -47.06 126.32 8.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.65 -19.63 49.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -109.01 -70.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.36 17.99 0.81 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -105.43 167.99 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.319 . . . . 0.0 110.952 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.629 ' NH1' HD22 ' A' ' 11' ' ' LEU . 22.6 mmt-85 -76.6 174.5 10.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.668 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 42.4 p90 -172.57 163.36 5.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' ASN . 5.7 m-20 -104.4 128.2 27.49 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.667 0.746 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -44.1 2.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.732 2.288 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -13.26 45.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -119.89 -17.01 8.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 27' ' ' SER . 28.3 t-20 -46.29 141.19 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.484 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 73.8 m -145.44 169.32 18.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -69.46 -7.37 37.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -131.63 35.41 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.41 -14.31 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.8 t -117.09 130.22 56.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.556 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -118.1 99.37 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.48 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 34.5 p90 -125.27 -175.79 3.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.964 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.506 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.6 m-70 -117.03 108.22 44.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.77 3.25 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.736 2.291 . . . . 0.0 112.304 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.67 -149.66 21.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.73 155.15 76.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.74 . . . . 0.0 111.131 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.84 114.33 3.68 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.38 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.441 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -113.13 153.59 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.441 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.55 95.92 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.552 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.3 129.25 51.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 2.7 m-20 54.84 42.22 31.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.45 6.28 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.759 HD23 HG22 ' A' ' 55' ' ' THR . 9.7 mt -98.98 98.77 9.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -84.53 116.73 23.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.21 -151.44 5.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.414 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 64.6 m95 -135.1 149.69 50.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.733 0.301 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.3 t -79.75 11.74 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 p -99.26 -50.36 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 p -112.5 176.13 5.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -88.06 -18.0 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.643 ' HG2' HG23 ' A' ' 63' ' ' ILE . 8.2 tpt180 -45.25 139.35 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.552 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 11.5 tpp180 -153.65 143.02 21.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.589 HG21 ' N ' ' A' ' 60' ' ' PHE . 12.3 t -153.71 150.39 28.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.759 HG22 HD23 ' A' ' 44' ' ' LEU . 4.0 p -97.08 -25.26 15.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 59' ' ' ASP . 25.6 t0 -75.0 100.98 4.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.773 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.948 ' CZ ' HD11 ' A' ' 61' ' ' LEU . 43.6 t80 -35.54 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 56' ' ' ASP . 47.5 t -67.49 -47.32 70.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 56' ' ' ASP . 37.4 m-20 -63.82 -40.99 97.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.589 ' N ' HG21 ' A' ' 54' ' ' THR . 7.8 t80 -52.79 -45.73 67.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.948 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 12.6 mt -73.83 -16.58 61.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -88.1 -33.88 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.643 HG23 ' HG2' ' A' ' 52' ' ' ARG . 91.6 mt -34.03 98.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.409 HG12 ' H ' ' A' ' 64' ' ' VAL . 1.0 OUTLIER -57.2 148.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.556 ' C ' HG22 ' A' ' 32' ' ' THR . . . -53.4 144.13 25.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.529 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.4 p -98.92 -16.81 18.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 68' ' ' LYS . 89.5 m -105.83 164.03 12.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.6 ' N ' HG22 ' A' ' 67' ' ' THR . 16.2 mmtp -125.69 144.44 50.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.78 -154.26 13.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.0 mtm105 -105.43 128.31 53.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.668 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 71.8 m-70 -47.1 137.82 7.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.468 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 27.8 m-20 -93.99 104.7 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.7 p -74.36 1.9 10.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -126.36 146.53 50.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.777 0.323 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.88 107.0 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' A' ' 21' ' ' PHE . 7.3 mt -90.2 142.57 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.2 tp -79.85 120.64 24.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.556 ' N ' HD12 ' A' ' 11' ' ' LEU . 22.7 t -70.17 146.31 50.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' ASN . 52.2 m-85 -125.61 43.18 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.51 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 87.4 m-20 -117.72 123.09 45.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -41.84 121.91 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.3 -14.71 51.14 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' GLN . 1.3 t -115.01 -70.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.813 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.13 22.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' CYS . 0.8 OUTLIER -114.55 162.63 16.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.3 . . . . 0.0 110.97 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mmm-85 -64.2 172.41 2.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 71' ' ' HIS . 40.4 p90 -172.7 166.27 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.484 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 1.2 m-20 -109.19 119.7 47.79 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -38.11 8.05 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.64 2.227 . . . . 0.0 112.327 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -51.69 -17.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.484 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.72 -27.45 3.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' THR . 54.4 t-20 -35.25 125.05 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.531 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 46.4 m -135.51 173.41 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -7.52 7.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -130.69 36.04 3.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.531 ' HB3' ' H ' ' A' ' 27' ' ' SER . . . -121.4 -14.54 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.553 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 40.6 t -117.21 129.56 56.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.441 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -115.11 103.65 11.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.095 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.51 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 47.6 p90 -131.33 -175.83 3.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.511 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.4 m-70 -117.42 110.21 41.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.668 0.747 . . . . 0.0 110.816 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 1.72 4.22 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.617 2.211 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.86 -149.52 22.45 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.454 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.24 155.09 76.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.735 0.779 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.6 Cg_endo -69.72 114.05 3.57 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.6 146.5 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -129.32 95.95 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.55 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.5 p80 -122.5 130.1 52.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.6 m-20 54.08 40.85 32.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.94 1.49 3.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.534 HD23 HG22 ' A' ' 55' ' ' THR . 6.1 mt -95.31 96.51 9.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -82.59 116.53 22.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.51 -151.66 5.48 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.445 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.404 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 67.2 m95 -134.76 149.86 50.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.737 0.303 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.7 p -79.88 12.08 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.2 p -101.01 -49.83 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -112.14 -178.41 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.29 -19.78 21.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.715 ' HG2' HG23 ' A' ' 63' ' ' ILE . 13.4 tpt180 -42.26 136.5 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.55 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.1 tpp180 -153.57 131.36 11.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.656 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.3 t -139.44 149.8 44.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.534 HG22 HD23 ' A' ' 44' ' ' LEU . 33.2 p -92.87 -24.53 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -79.01 108.78 12.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.541 ' CE2' HD11 ' A' ' 61' ' ' LEU . 78.1 t80 -43.23 -30.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 p -70.13 -43.9 70.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.447 ' C ' HG21 ' A' ' 54' ' ' THR . 5.6 m-20 -67.61 -39.84 84.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.656 ' N ' HG21 ' A' ' 54' ' ' THR . 2.3 t80 -52.7 -42.26 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.541 HD11 ' CE2' ' A' ' 57' ' ' PHE . 32.0 mt -76.07 -20.99 57.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.1 t -82.15 -29.96 31.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.715 HG23 ' HG2' ' A' ' 52' ' ' ARG . 82.0 mt -35.31 102.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 64' ' ' VAL . 1.5 p -60.15 138.65 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.511 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.05 143.52 4.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.6 p -98.75 -13.8 20.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.605 HG22 ' N ' ' A' ' 68' ' ' LYS . 86.2 m -109.53 164.78 12.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.605 ' N ' HG22 ' A' ' 67' ' ' THR . 13.6 mmtp -126.31 143.51 51.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.3 -152.9 10.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.46 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -108.4 129.2 55.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 70.5 m-70 -46.49 130.45 11.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 13' ' ' TYR . 9.9 m-20 -85.81 99.03 11.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.0 t -73.97 2.43 8.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' HA ' ' HZ3' ' A' ' 75' ' ' LYS . 98.6 mt-10 -139.87 121.19 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.459 ' HZ3' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.453 ' O ' ' CD ' ' A' ' 23' ' ' PRO . 8.2 ptp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.821 0.343 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.67 96.46 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.1 mt -79.78 138.04 37.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.2 tp -79.77 122.82 27.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.612 ' N ' HD12 ' A' ' 11' ' ' LEU . 22.7 t -73.37 145.98 45.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -125.41 33.23 5.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.491 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 85.1 m-20 -100.27 129.93 46.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -50.2 116.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.93 -15.06 37.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.35 -70.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.958 0.408 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.87 19.08 0.47 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -107.92 167.01 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -75.88 172.74 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 38.1 p90 -172.28 164.1 5.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.8 OUTLIER -107.43 128.59 25.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 0.0 110.862 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.453 ' CD ' ' O ' ' A' ' 8' ' ' MET . 53.5 Cg_endo -69.79 -43.62 2.53 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -62.58 -12.08 20.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 p -122.61 -18.99 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 22' ' ' ASP . 64.0 t-20 -50.16 137.43 17.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.433 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 6.1 m -143.4 -175.32 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.78 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -78.04 -5.44 51.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -133.09 35.27 3.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.76 -14.56 9.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 32.4 t -116.96 131.23 57.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -117.87 100.09 7.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.491 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 31.6 p90 -127.32 -175.79 3.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.537 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.0 m-70 -117.62 106.85 45.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.88 3.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.351 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.0 -148.1 20.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.34 155.89 75.46 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.568 0.699 . . . . 0.0 111.123 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.76 104.93 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.27 . . . . 0.0 112.319 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -101.77 145.17 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.111 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -137.15 94.79 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.476 ' CE1' HH11 ' A' ' 53' ' ' ARG . 8.5 p80 -123.27 134.43 54.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.807 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.4 OUTLIER 52.72 44.18 30.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 66.78 2.81 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 41' ' ' HIS . 5.1 mt -96.36 98.22 10.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 10.7 mtmm -93.24 128.12 39.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.48 ' C ' ' CD1' ' A' ' 47' ' ' TRP . . . -158.08 -122.52 0.69 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.501 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.48 ' CD1' ' C ' ' A' ' 46' ' ' GLY . 68.5 m95 -158.2 146.71 18.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.9 t -79.53 10.92 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 p -99.55 -38.69 8.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 p -129.13 172.05 11.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -79.16 5.56 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.845 ' HG3' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -60.55 118.33 6.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.476 HH11 ' CE1' ' A' ' 41' ' ' HIS . 0.3 OUTLIER -154.19 124.2 6.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.4 ' CG2' HH12 ' A' ' 52' ' ' ARG . 2.8 t -128.73 161.48 29.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.7 p -97.28 5.77 49.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.12 138.27 49.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -71.35 -49.17 45.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -60.27 -31.02 69.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.803 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -75.7 -33.5 60.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -52.77 -39.85 62.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.95 -23.08 59.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -69.49 -29.84 67.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.845 HG23 ' HG3' ' A' ' 52' ' ' ARG . 71.1 mt -42.11 129.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.462 ' O ' ' CE1' ' A' ' 34' ' ' HIS . 38.8 t -98.54 146.01 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.642 ' O ' HG22 ' A' ' 32' ' ' THR . . . -46.02 137.37 7.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.531 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.4 p -97.73 -10.89 24.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.942 0.401 . . . . 0.0 110.919 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.61 HG22 ' N ' ' A' ' 68' ' ' LYS . 91.4 m -108.8 165.06 11.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.61 ' N ' HG22 ' A' ' 67' ' ' THR . 15.9 mmtp -125.66 141.88 51.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.16 -149.09 7.57 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -108.68 128.25 54.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.575 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 83.0 m-70 -49.39 141.39 9.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' ND2' ' OD1' ' A' ' 14' ' ' ASN . 60.3 m-20 -99.16 108.11 20.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 p -81.75 9.37 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -122.71 122.83 39.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.2 mttt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.7 ptp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.735 0.302 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.47 102.66 7.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.7 mt -81.7 143.13 32.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.723 HD12 ' N ' ' A' ' 12' ' ' CYS . 1.8 tp -83.91 122.52 28.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.723 ' N ' HD12 ' A' ' 11' ' ' LEU . 41.9 t -74.78 133.45 41.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.584 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 89.9 m-85 -114.45 27.15 9.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.502 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 86.0 m-20 -95.36 123.32 38.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.413 ' NH2' ' HG3' ' A' ' 38' ' ' PRO . 14.8 mtp180 -44.39 125.42 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.55 -3.34 57.71 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.79 -72.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.79 20.25 1.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.35 166.36 11.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.723 0.297 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -75.88 173.59 10.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.649 ' CB ' ' CD2' ' A' ' 71' ' ' HIS . 35.9 p90 -172.81 164.4 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.478 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 94.4 m-20 -111.96 126.0 29.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -30.95 21.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.414 ' HG3' HG22 ' A' ' 25' ' ' THR . 0.4 OUTLIER -63.35 -13.4 38.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.6 -25.27 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 25' ' ' THR . 57.4 t-20 -34.15 136.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.418 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 7.0 m -145.32 171.99 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -1.52 8.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -137.44 39.19 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.67 -12.92 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.061 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 t -117.2 125.61 51.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.552 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -111.8 95.86 5.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.171 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.502 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 28.1 p90 -124.41 -175.05 3.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.459 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.7 m-70 -120.5 107.5 38.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.596 0.712 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 3.19 2.9 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.62 -148.06 20.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.475 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.24 156.21 75.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.682 0.753 . . . . 0.0 111.116 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HG3' ' NH2' ' A' ' 15' ' ' ARG . 53.8 Cg_endo -69.71 116.44 4.56 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.665 2.243 . . . . 0.0 112.304 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -112.39 151.85 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.79 95.88 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.492 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 12.6 p80 -122.42 130.52 53.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.496 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 2.3 m-20 54.74 38.74 30.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 71.74 1.33 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.693 HD23 HG22 ' A' ' 55' ' ' THR . 9.7 mt -94.26 99.67 11.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 14.1 mttp -84.3 118.93 24.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.22 -146.47 4.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -139.76 147.4 40.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.718 0.294 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -79.45 11.29 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.7 p -97.16 -41.25 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -122.48 -177.07 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -93.3 -18.37 22.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.823 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.749 ' HG2' HG23 ' A' ' 63' ' ' ILE . 15.1 tpt180 -45.61 135.5 6.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.492 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.0 tpp180 -153.03 131.01 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.537 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.4 t -134.87 149.37 50.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.693 HG22 HD23 ' A' ' 44' ' ' LEU . 18.5 p -93.55 -17.5 23.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -87.39 114.95 24.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -46.79 -42.6 17.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -46.09 89.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -65.0 -40.14 94.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.615 ' CE2' HD23 ' A' ' 61' ' ' LEU . 4.8 t80 -49.24 -44.62 43.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.615 HD23 ' CE2' ' A' ' 60' ' ' PHE . 6.7 mt -77.07 -11.33 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.6 t -90.26 -30.49 17.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.749 HG23 ' HG2' ' A' ' 52' ' ' ARG . 79.2 mt -34.08 100.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.3 p -56.37 134.63 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.552 ' C ' HG22 ' A' ' 32' ' ' THR . . . -41.21 143.88 0.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.461 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.1 p -99.06 -18.35 17.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.593 HG22 ' N ' ' A' ' 68' ' ' LYS . 62.8 m -106.0 163.74 12.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.593 ' N ' HG22 ' A' ' 67' ' ' THR . 22.8 mmtt -126.41 140.36 52.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.5 -149.19 7.71 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -106.92 133.95 50.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.649 ' CD2' ' CB ' ' A' ' 21' ' ' PHE . 97.3 m-70 -46.34 173.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.475 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . 0.9 OUTLIER -128.95 106.18 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.4 t -82.18 3.89 25.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.47 155.3 39.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.584 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 ptp . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.856 0.36 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.12 102.84 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 10.0 mt -82.71 137.54 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.3 tp -79.88 119.77 23.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.539 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.4 t -68.04 144.49 55.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' ASN . 70.8 m-85 -124.1 36.85 4.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.511 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 85.8 m-20 -106.11 128.1 53.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.81 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -48.62 117.47 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.74 -23.14 22.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 t -103.17 -71.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.19 19.8 0.71 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -108.14 167.49 9.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.916 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -76.84 170.97 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.658 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 43.8 p90 -170.31 166.84 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.483 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 13.0 m-20 -113.37 125.34 29.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.63 10.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.668 2.246 . . . . 0.0 112.309 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -14.83 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -127.39 -26.89 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.143 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' THR . 62.2 t-20 -34.34 135.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.407 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 33.9 m -142.67 179.82 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -74.45 -4.56 37.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -135.47 39.82 2.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.3 -14.5 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 35.4 t -117.22 128.88 55.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.41 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -115.59 106.68 14.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.168 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.511 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 23.0 p90 -135.57 -175.75 4.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.57 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.3 m-70 -117.38 106.17 47.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.524 0.678 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 34' ' ' HIS . 54.3 Cg_endo -69.61 3.06 2.92 Favored 'Trans proline' 0 C--O 1.23 0.087 0 C-N-CA 122.727 2.285 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.52 -161.43 24.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.24 155.7 61.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.622 0.725 . . . . 0.0 111.123 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.7 Cg_endo -69.83 123.11 9.76 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.467 HG13 ' NH2' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -125.0 148.71 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.41 95.44 3.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.779 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.508 ' CD2' HH21 ' A' ' 53' ' ' ARG . 4.3 p80 -122.99 135.9 54.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.9 OUTLIER 52.47 44.66 29.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.39 0.63 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.42 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 15.2 mt -94.04 113.03 24.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -104.36 119.56 39.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.422 ' HA3' ' NH1' ' A' ' 53' ' ' ARG . . . -155.26 -146.48 4.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.464 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 49.3 m95 -136.29 147.57 47.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.848 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -69.45 -0.7 6.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.7 p -89.53 -36.42 15.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.3 p -128.08 176.3 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 52' ' ' ARG . 14.4 mmtt -93.5 -26.72 17.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.597 ' HG2' HG23 ' A' ' 63' ' ' ILE . 18.8 tpp180 -33.89 139.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.508 HH21 ' CD2' ' A' ' 41' ' ' HIS . 14.9 mmt-85 -152.74 149.48 28.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 t -152.3 126.22 9.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -66.22 -11.09 47.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -92.41 129.5 38.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -65.93 -35.72 81.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 t -66.89 -54.14 25.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -56.51 -36.57 69.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -51.6 -50.45 60.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.78 -0.03 12.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -100.98 -27.86 13.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.597 HG23 ' HG2' ' A' ' 52' ' ' ARG . 55.0 mt -35.18 115.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.1 t -65.99 129.4 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -39.34 143.83 0.36 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.527 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.5 p -100.52 -12.65 19.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.615 HG22 ' N ' ' A' ' 68' ' ' LYS . 70.9 m -107.34 165.47 11.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.615 ' N ' HG22 ' A' ' 67' ' ' THR . 4.4 mmtm -130.59 140.59 50.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.84 -152.23 9.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -105.68 127.55 53.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.658 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 69.4 m-70 -46.95 133.89 10.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 13' ' ' TYR . 19.6 m-20 -92.17 106.22 18.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.0 t -77.87 5.76 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -130.35 133.42 46.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.821 0.344 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.47 97.73 6.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.0 mt -80.61 139.3 36.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.0 tp -79.8 122.63 26.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.707 ' N ' HD12 ' A' ' 11' ' ' LEU . 25.4 t -73.45 146.95 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.467 ' CD1' ' CD ' ' A' ' 75' ' ' LYS . 54.9 m-85 -127.08 37.14 4.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.484 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 84.7 m-20 -108.02 125.46 51.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.4 mtt-85 -44.2 125.37 4.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.19 -17.84 56.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -110.28 -71.99 0.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.87 19.56 0.35 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -108.09 168.79 9.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.969 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -74.8 173.76 10.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 10' ' ' LEU . 36.2 p90 -172.76 163.68 5.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.489 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 50.9 m-20 -111.03 124.63 32.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.732 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -33.26 17.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.34 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.12 -10.7 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.489 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -129.71 -29.87 2.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 25' ' ' THR . 61.9 t-20 -37.23 138.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.531 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -137.84 -177.32 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.496 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 2.1 t70 -75.54 6.32 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' HA ' ' HB3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -150.54 26.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.531 ' HB3' ' H ' ' A' ' 27' ' ' SER . . . -102.04 -9.46 20.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 34.9 t -117.67 127.42 53.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.544 HG22 ' HA3' ' A' ' 65' ' ' GLY . 3.0 m -110.35 108.77 18.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.484 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 40.2 p90 -135.28 -175.67 4.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.545 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 91.0 m-70 -117.3 108.51 43.58 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.717 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.9 3.1 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.7 2.266 . . . . 0.0 112.372 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.99 -151.53 22.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.82 155.1 78.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.688 0.756 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.454 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.4 Cg_endo -69.79 117.7 5.24 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.691 2.26 . . . . 0.0 112.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -117.13 154.0 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.4 m-85 -136.82 95.73 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.549 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.91 131.5 53.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 18.4 m-20 53.35 40.96 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 66.94 10.53 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.656 HD23 HG22 ' A' ' 55' ' ' THR . 9.5 mt -102.82 94.97 5.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 11.2 mttp -81.28 119.94 24.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.74 -149.75 5.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.454 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 47.8 m95 -137.65 148.45 45.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.787 0.327 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.6 t -79.46 10.55 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.422 ' SG ' ' CB ' ' A' ' 47' ' ' TRP . 3.6 p -95.45 -46.93 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 1.8 p -115.47 179.3 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -93.32 -6.11 48.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.56 ' HG2' HG23 ' A' ' 63' ' ' ILE . 12.9 tpt180 -57.93 135.44 56.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.549 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -153.48 129.89 10.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.0 t -130.48 145.58 51.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.656 HG22 HD23 ' A' ' 44' ' ' LEU . 9.7 p -83.82 -23.35 31.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.74 153.56 32.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 5.8 t80 -83.41 -30.42 27.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t -73.6 -48.65 31.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.7 -42.15 74.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.48 ' CE2' HD23 ' A' ' 61' ' ' LEU . 7.6 t80 -47.44 -46.8 26.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.48 HD23 ' CE2' ' A' ' 60' ' ' PHE . 18.7 mt -73.18 -15.71 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.1 t -85.14 -33.58 22.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.56 HG23 ' HG2' ' A' ' 52' ' ' ARG . 97.7 mt -34.19 99.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.82 135.75 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.545 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -39.88 141.5 0.71 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 29.1 p -95.86 -16.42 21.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.627 HG22 ' N ' ' A' ' 68' ' ' LYS . 91.8 m -110.47 165.54 11.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.627 ' N ' HG22 ' A' ' 67' ' ' THR . 12.9 mmtp -128.43 144.58 51.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 28' ' ' ASP . . . -175.2 -146.86 5.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.497 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 27' ' ' SER . 33.4 mtt180 -109.54 133.1 53.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 31' ' ' CYS . 83.1 m-70 -54.55 134.23 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.46 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 10.4 m-20 -93.38 106.19 18.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.1 p -76.87 4.69 9.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -130.12 131.14 45.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.467 ' CD ' ' CD1' ' A' ' 13' ' ' TYR . 3.3 mmmm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 p -52.88 116.93 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.823 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -165.58 135.96 3.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.05 82.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -138.07 134.78 35.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 0.0 110.877 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -124.29 178.31 5.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.6 31.21 0.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.441 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.442 ' O ' ' CD ' ' A' ' 23' ' ' PRO . 4.3 ptp -130.07 6.81 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.55 99.49 7.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.9 mt -81.02 139.28 35.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.706 HD22 ' NH1' ' A' ' 20' ' ' ARG . 2.2 tp -79.91 124.7 28.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.703 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.8 t -72.69 144.17 47.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.522 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 60.4 m-85 -123.8 38.36 4.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.512 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 82.7 m-20 -109.28 127.78 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.4 mtt85 -49.12 121.53 4.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.2 -22.76 30.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -105.11 -71.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.54 17.68 0.8 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -104.12 167.91 9.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.706 ' NH1' HD22 ' A' ' 11' ' ' LEU . 26.4 mmt-85 -77.25 173.96 11.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.678 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 44.0 p90 -172.71 165.55 5.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -107.29 128.85 25.2 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.536 0.684 . . . . 0.0 110.917 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.442 ' CD ' ' O ' ' A' ' 8' ' ' MET . 54.3 Cg_endo -69.76 -43.66 2.53 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.631 2.221 . . . . 0.0 112.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -8.21 17.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -124.59 -20.18 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 22' ' ' ASP . 62.4 t-20 -47.0 141.72 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.451 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 41.0 m -145.93 163.27 35.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.11 -7.59 5.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -131.49 37.31 3.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.87 -16.24 8.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.477 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 43.4 t -114.73 129.52 56.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER -117.74 99.82 7.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.512 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 22.5 p90 -126.82 -175.83 3.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.98 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.561 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.8 m-70 -116.79 105.24 50.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.671 0.748 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.22 2.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.368 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.66 -147.75 21.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.509 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.81 155.13 76.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 111.144 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.422 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 54.3 Cg_endo -69.76 121.75 8.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.655 2.237 . . . . 0.0 112.422 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.425 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.24 152.74 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.051 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.425 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -136.81 95.84 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.501 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 11.0 p80 -122.39 130.43 53.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.0 m-20 54.58 40.47 31.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.02 8.51 6.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.734 HD23 HG22 ' A' ' 55' ' ' THR . 9.4 mt -101.43 99.07 9.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 12.6 mttp -82.22 121.1 26.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.54 -147.68 4.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.422 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 49.5 m95 -141.7 148.68 39.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.715 0.293 . . . . 0.0 110.978 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -79.19 11.23 2.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 p -96.51 -44.0 7.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 1.8 p -119.97 178.9 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -92.23 -8.67 44.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.658 ' HG2' HG23 ' A' ' 63' ' ' ILE . 6.6 tpm_? -54.64 137.95 42.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.501 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.9 tpp180 -153.67 129.28 10.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.577 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.0 t -134.22 154.82 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.734 HG22 HD23 ' A' ' 44' ' ' LEU . 72.5 p -101.48 -15.23 17.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 58' ' ' SER . 4.9 t70 -85.23 103.63 14.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' ASP . 53.5 t80 -36.91 -29.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 56' ' ' ASP . 5.6 t -72.63 -50.45 25.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 56' ' ' ASP . 19.6 m-20 -57.81 -40.79 80.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.596 ' CE2' HD23 ' A' ' 61' ' ' LEU . 8.8 t80 -51.17 -47.79 62.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.823 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.596 HD23 ' CE2' ' A' ' 60' ' ' PHE . 5.7 mt -75.82 -5.24 44.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -100.52 -31.23 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.658 HG23 ' HG2' ' A' ' 52' ' ' ARG . 83.4 mt -34.26 105.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 p -59.83 137.57 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.561 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.96 145.07 4.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.543 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.412 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 28.6 p -98.27 -10.95 23.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.618 HG22 ' N ' ' A' ' 68' ' ' LYS . 90.7 m -110.38 164.53 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.618 ' N ' HG22 ' A' ' 67' ' ' THR . 36.7 mmtt -127.49 142.19 51.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.32 -155.22 13.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -104.62 123.09 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.678 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 68.1 m-70 -40.75 136.21 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.488 ' ND2' ' OD1' ' A' ' 14' ' ' ASN . 33.2 m-20 -90.81 108.75 20.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.3 p -79.71 8.69 6.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -136.15 144.52 45.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.522 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 25.1 mtmt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 p -159.27 122.38 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.9 p -148.55 172.35 14.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.12 160.41 9.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -109.6 137.93 46.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.874 0.369 . . . . 0.0 110.816 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -109.78 143.7 39.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.09 15.76 6.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.448 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 ptp -106.97 6.58 29.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.14 101.17 6.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 14.4 mt -82.48 140.6 33.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.692 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.2 tp -79.79 125.68 30.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.692 ' N ' HD12 ' A' ' 11' ' ' LEU . 12.3 t -80.28 133.63 36.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -113.35 32.2 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.481 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 87.7 m-20 -99.15 122.88 42.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.6 mtm-85 -43.66 127.96 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.77 -19.36 54.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.25 -71.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.37 18.01 0.82 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -110.84 161.34 15.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -70.76 175.74 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.601 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 34.0 p90 -172.75 166.06 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 26' ' ' ASN . 1.5 m-20 -108.45 127.65 27.09 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.565 0.698 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -44.13 2.23 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.317 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.78 -12.63 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -120.62 -20.9 6.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' ASP . 64.4 t-20 -45.8 137.02 5.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -141.25 164.55 29.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -7.69 5.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.796 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -132.18 38.32 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.35 -15.51 7.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.6 t -114.14 125.6 54.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.499 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -114.0 100.55 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.157 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.481 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 34.5 p90 -126.91 -175.77 3.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.567 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.1 m-70 -116.77 106.51 47.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.663 0.744 . . . . 0.0 110.803 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 2.92 3.07 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.295 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.72 -148.11 20.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.413 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.16 155.23 76.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.584 0.706 . . . . 0.0 111.129 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 54.0 Cg_endo -69.74 120.63 7.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.266 . . . . 0.0 112.279 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -117.9 152.34 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.068 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.423 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.87 95.99 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.533 ' NE2' ' CZ ' ' A' ' 53' ' ' ARG . 10.3 p80 -122.35 130.67 53.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.1 m-20 54.79 40.57 32.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.35 7.63 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.895 HD23 HG22 ' A' ' 55' ' ' THR . 12.3 mt -100.75 101.46 12.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -84.41 120.43 26.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.27 -147.96 4.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.421 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 51.6 m95 -142.0 149.28 39.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.775 0.321 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.4 t -79.65 11.79 2.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 p -97.56 -41.54 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 p -123.92 179.71 4.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -88.83 -23.63 22.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.645 ' HG2' HG23 ' A' ' 63' ' ' ILE . 4.3 tpm_? -40.62 136.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.533 ' CZ ' ' NE2' ' A' ' 41' ' ' HIS . 11.2 tpp180 -153.76 136.91 15.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.606 HG21 ' HB3' ' A' ' 59' ' ' ASP . 12.9 t -146.81 154.32 41.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.895 HG22 HD23 ' A' ' 44' ' ' LEU . 9.1 p -96.36 -30.15 13.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 59' ' ' ASP . 13.2 m-20 -69.84 104.4 2.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -41.38 -29.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -71.25 -40.71 70.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.606 ' HB3' HG21 ' A' ' 54' ' ' THR . 24.6 t70 -67.42 -43.25 81.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.415 ' N ' HG21 ' A' ' 54' ' ' THR . 1.9 t80 -50.26 -34.98 25.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mt -81.4 -17.67 48.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -86.83 -32.45 20.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.645 HG23 ' HG2' ' A' ' 52' ' ' ARG . 94.8 mt -33.99 102.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.1 t -61.08 136.22 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -44.35 143.7 2.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.2 p -98.41 -9.34 25.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 68' ' ' LYS . 85.3 m -112.78 164.07 13.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.199 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.6 ' N ' HG22 ' A' ' 67' ' ' THR . 11.1 mmtp -126.25 143.87 50.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.59 -152.45 10.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -109.46 124.03 50.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.601 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 68.9 m-70 -42.6 142.62 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.817 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -102.12 108.23 19.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.8 t -79.84 8.1 7.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -132.81 132.01 41.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -104.11 98.07 7.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 0.0 110.844 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -107.95 6.02 26.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.44 -150.27 6.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.541 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -59.81 148.22 35.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.931 0.396 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -101.61 176.34 5.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.0 40.91 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.8 ptp -117.89 8.75 12.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.13 96.89 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.7 mt -79.28 140.17 37.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 12' ' ' CYS . 6.2 tp -81.88 123.64 29.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.509 ' N ' HD12 ' A' ' 11' ' ' LEU . 29.8 t -75.96 137.46 40.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -118.37 34.74 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.531 ' ND2' ' H ' ' A' ' 72' ' ' ASN . 86.4 m-20 -104.3 122.66 45.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -43.75 125.88 4.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.59 -18.32 53.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.475 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.3 -71.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.904 0.383 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.08 18.63 0.84 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -109.37 161.4 15.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.769 0.319 . . . . 0.0 110.938 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -71.57 175.66 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.682 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 35.2 p90 -172.68 164.73 5.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.48 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 0.9 OUTLIER -111.29 125.61 30.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 0.0 110.877 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -39.74 6.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -51.43 -17.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.38 -25.74 3.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' THR . 7.6 t-20 -34.5 140.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.0 m -149.09 169.57 20.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.41 -4.78 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 p-10 -132.22 35.69 3.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.89 -14.69 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.6 t -117.2 126.48 52.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.576 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -115.06 101.93 9.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.07 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 21.1 p90 -127.91 -175.77 3.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.562 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.1 m-70 -117.32 105.1 49.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 3.25 2.9 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.27 -147.33 20.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.16 155.22 76.08 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.76 121.99 8.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.306 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.57 151.92 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.49 95.96 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.512 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 9.6 p80 -122.27 130.21 52.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.3 OUTLIER 55.27 39.31 31.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 69.36 7.38 6.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.705 HD23 HG22 ' A' ' 55' ' ' THR . 9.6 mt -100.35 100.54 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -82.97 119.6 24.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.17 -148.36 4.73 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.408 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 56.4 m95 -141.33 149.75 41.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -80.2 12.68 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 p -98.86 -45.42 6.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.41 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 2.4 p -119.4 -176.68 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -92.58 -21.78 19.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.759 ' HG2' HG23 ' A' ' 63' ' ' ILE . 11.9 tpp180 -41.91 134.52 2.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.512 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.2 tpp180 -151.46 124.69 8.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.605 HG21 ' N ' ' A' ' 60' ' ' PHE . 7.5 t -135.5 145.0 46.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.705 HG22 HD23 ' A' ' 44' ' ' LEU . 72.9 p -90.12 -26.27 20.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 58' ' ' SER . 48.1 t0 -70.94 100.77 2.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ASP . 47.1 t80 -36.52 -30.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 56' ' ' ASP . 8.5 t -71.47 -48.33 49.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.483 ' C ' HG21 ' A' ' 54' ' ' THR . 45.7 m-20 -61.43 -39.59 91.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.605 ' N ' HG21 ' A' ' 54' ' ' THR . 4.9 t80 -54.39 -40.05 67.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.773 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.445 HD23 ' CE2' ' A' ' 60' ' ' PHE . 37.3 mt -81.86 -3.06 53.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 t -104.36 -28.57 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.759 HG23 ' HG2' ' A' ' 52' ' ' ARG . 68.6 mt -34.05 106.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.181 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -58.75 133.62 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.576 ' C ' HG22 ' A' ' 32' ' ' THR . . . -45.19 145.61 2.38 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.41 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 28.3 p -98.2 -15.21 19.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.586 HG22 ' N ' ' A' ' 68' ' ' LYS . 98.5 m -106.86 162.76 13.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.098 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.586 ' N ' HG22 ' A' ' 67' ' ' THR . 11.2 mmtp -126.27 143.1 51.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.33 -154.85 13.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -104.13 127.64 51.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.765 0.317 . . . . 0.0 110.945 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.682 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 85.7 m-70 -43.68 135.39 3.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.531 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 12.9 m-20 -87.94 101.75 14.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 p -75.51 0.17 18.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -124.89 156.3 38.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -42.08 110.51 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.891 0.377 . . . . 0.0 110.809 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 p -157.53 108.53 2.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.811 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.8 -111.35 0.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 p -135.2 178.04 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 110.917 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 p -56.55 147.74 21.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.97 16.57 6.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.7 ptp -108.95 6.74 25.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.773 0.32 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.93 98.53 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.7 mt -79.3 143.57 35.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.5 tp -83.87 124.48 31.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.646 ' N ' HD12 ' A' ' 11' ' ' LEU . 20.2 t -76.63 141.52 41.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -121.73 35.85 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.521 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 85.8 m-20 -105.75 123.64 48.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -43.17 125.91 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.77 -16.91 58.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.462 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -109.18 -71.12 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.4 19.42 0.44 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -109.04 168.32 9.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.586 ' NH1' HD22 ' A' ' 11' ' ' LEU . 26.5 mmt-85 -76.55 174.27 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.598 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 41.0 p90 -172.74 166.07 5.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -108.29 128.28 25.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.563 0.697 . . . . 0.0 110.925 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -43.78 2.47 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.724 2.283 . . . . 0.0 112.357 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -61.99 -10.5 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 p -125.28 -18.41 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' ASP . 40.6 t-20 -56.52 137.78 52.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.453 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -142.1 -170.23 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -82.47 -0.94 48.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -135.91 32.03 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.02 -13.58 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.543 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 43.6 t -117.18 124.82 50.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.512 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -113.75 97.5 6.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.521 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 27.8 p90 -124.01 -175.67 3.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.564 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.1 m-70 -116.88 106.43 47.82 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 3.41 2.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.61 -147.99 20.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.99 155.22 76.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 111.175 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 54.1 Cg_endo -69.77 122.5 9.17 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.708 2.272 . . . . 0.0 112.377 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.42 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.83 152.18 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.194 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.42 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -135.94 95.5 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.51 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 8.8 p80 -122.78 130.85 53.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.7 m-20 54.71 39.93 31.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.24 11.14 8.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.913 HD23 HG22 ' A' ' 55' ' ' THR . 12.0 mt -103.99 98.78 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -80.82 121.22 25.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.6 -148.37 4.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.47 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.436 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 48.3 m95 -142.15 148.86 38.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 t -78.79 10.35 3.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.79 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 p -96.12 -46.98 6.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.445 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 1.6 p -117.25 -179.05 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -93.41 -11.98 30.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.617 ' HG2' HG23 ' A' ' 63' ' ' ILE . 12.2 tpp85 -51.73 131.45 30.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.51 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -147.86 126.6 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.554 HG21 ' N ' ' A' ' 60' ' ' PHE . 12.3 t -132.37 151.88 51.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.913 HG22 HD23 ' A' ' 44' ' ' LEU . 81.1 p -98.11 -12.81 21.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -91.83 108.57 20.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' A' ' 61' ' ' LEU . 44.8 t80 -40.62 -46.53 2.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.0 t -55.75 -42.69 75.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -70.17 -41.81 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.654 ' CE2' HD23 ' A' ' 61' ' ' LEU . 2.6 t80 -49.93 -43.07 49.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.654 HD23 ' CE2' ' A' ' 60' ' ' PHE . 8.6 mt -77.83 -11.46 59.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.2 t -91.99 -28.71 17.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.617 HG23 ' HG2' ' A' ' 52' ' ' ARG . 64.2 mt -34.0 104.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.1 p -58.73 130.66 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.564 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -41.75 144.15 0.88 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.445 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 29.2 p -98.5 -9.39 25.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.931 0.396 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.599 HG22 ' N ' ' A' ' 68' ' ' LYS . 86.2 m -112.9 163.75 14.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.599 ' N ' HG22 ' A' ' 67' ' ' THR . 14.2 mmtp -126.98 142.51 51.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.47 -152.95 10.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.7 mtt-85 -105.91 129.35 54.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.598 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 77.0 m-70 -48.02 136.12 11.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.518 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 16.2 m-20 -90.75 106.51 18.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.7 p -76.39 2.33 13.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -128.16 150.74 49.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.0 mttt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 p -127.51 -176.15 3.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -146.46 166.15 27.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.64 115.37 4.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.541 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -104.7 -40.81 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.842 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 m -49.72 -49.6 47.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.12 17.09 80.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.6 ptp -91.43 6.55 45.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.52 100.84 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 15.6 mt -79.96 141.68 35.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.639 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.8 tp -83.92 127.24 33.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.639 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.3 t -79.56 143.08 35.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.536 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 91.3 m-85 -123.35 31.51 5.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.491 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 85.5 m-20 -96.99 128.77 44.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.432 ' HB3' ' CH2' ' A' ' 47' ' ' TRP . 32.7 mtp85 -50.67 112.81 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.33 -9.31 28.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.6 t -116.47 -70.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.99 19.58 0.58 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -108.03 164.52 12.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.747 0.308 . . . . 0.0 110.968 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.618 ' NH1' HD22 ' A' ' 11' ' ' LEU . 23.3 mmt-85 -75.79 173.45 11.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.669 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 43.0 p90 -172.19 166.9 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -108.74 128.11 26.14 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.656 0.741 . . . . 0.0 110.86 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -43.96 2.4 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -10.08 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 p -123.91 -19.59 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 27' ' ' SER . 58.4 t-20 -44.27 140.26 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.466 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 6.4 m -145.38 173.43 12.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -71.36 -7.13 45.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -132.31 37.01 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.7 -15.59 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 33.5 t -117.19 129.98 56.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.57 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.6 m -117.13 104.17 10.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.491 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 32.9 p90 -130.89 -175.81 3.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.55 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.8 m-70 -117.51 108.01 43.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -2.42 10.16 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.98 -148.4 24.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.571 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.23 155.14 76.0 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.704 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 108.96 2.19 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.306 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.432 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -106.98 153.31 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.432 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -136.92 96.12 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.549 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.28 130.85 53.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.9 OUTLIER 53.66 41.67 32.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.8 6.53 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.029 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.477 ' HB3' ' CG ' ' A' ' 53' ' ' ARG . 8.4 mt -99.25 93.37 5.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.975 0.417 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 11.8 mttp -80.25 117.21 20.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.98 -148.64 4.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.435 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.432 ' CH2' ' HB3' ' A' ' 15' ' ' ARG . 68.5 m95 -134.19 152.5 51.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.5 p -83.62 9.88 10.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.6 p -95.98 -50.73 4.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.6 p -112.78 -176.47 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -93.35 -16.86 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.659 ' HG2' HG23 ' A' ' 63' ' ' ILE . 13.0 tpp180 -44.21 133.73 5.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.549 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.8 tpp180 -153.12 138.22 17.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.802 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 t -142.86 148.85 37.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.47 ' CG2' HD23 ' A' ' 44' ' ' LEU . 4.4 p -89.87 -19.09 25.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -81.18 124.44 29.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -56.29 -30.86 63.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.5 t -73.41 -60.52 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -46.37 -37.7 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -50.49 -40.96 52.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt -78.17 -12.67 60.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -87.21 -31.02 20.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.659 HG23 ' HG2' ' A' ' 52' ' ' ARG . 79.4 mt -33.99 102.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.27 138.1 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.07 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.57 ' C ' HG22 ' A' ' 32' ' ' THR . . . -47.4 143.41 5.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.3 p -99.26 -20.75 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.894 0.378 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.588 HG22 ' N ' ' A' ' 68' ' ' LYS . 87.4 m -101.08 163.28 12.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.588 ' N ' HG22 ' A' ' 67' ' ' THR . 6.5 mmtm -126.31 144.89 50.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.67 -149.54 8.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -109.61 127.76 54.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.669 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 66.5 m-70 -47.1 139.32 5.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -96.64 103.37 15.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.5 p -75.01 3.38 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -116.33 151.61 35.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.536 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 p -143.73 160.33 40.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.827 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 m -152.85 113.95 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.46 -156.06 10.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 p -142.74 156.07 44.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.915 0.388 . . . . 0.0 110.787 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.7 m -116.59 178.81 4.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.8 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.09 26.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.545 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 ptp -105.68 12.05 31.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.88 98.34 9.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 10.4 mt -79.3 138.79 37.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 12' ' ' CYS . 4.8 tp -79.68 125.04 29.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.576 ' N ' HD12 ' A' ' 11' ' ' LEU . 16.8 t -77.42 140.77 39.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -120.97 33.26 5.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.478 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 85.5 m-20 -102.77 125.93 49.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -46.06 123.64 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.64 -21.21 39.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.6 -70.97 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.38 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.29 18.85 0.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -110.06 164.61 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -73.13 171.88 12.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.604 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 44.8 p90 -170.33 165.72 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -108.24 128.2 26.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.61 0.719 . . . . 0.0 110.818 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -43.77 2.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -60.62 -11.71 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -125.16 -19.68 5.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 22' ' ' ASP . 37.4 t-20 -54.36 132.11 43.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.45 -170.06 2.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -82.09 -1.46 48.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -135.09 32.11 3.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.17 -12.78 10.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.566 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 47.4 t -117.2 125.62 51.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.558 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.1 m -113.8 96.54 5.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.478 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 39.4 p90 -123.58 -175.8 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.495 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.7 m-70 -117.58 108.98 42.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.594 0.711 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.4 3.56 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.744 2.296 . . . . 0.0 112.326 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.56 -149.94 23.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.95 155.14 76.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 111.114 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.82 117.14 4.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -116.28 154.2 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 m-85 -136.78 95.98 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.55 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.45 130.46 53.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 10.7 m-20 53.77 41.89 31.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.55 6.72 5.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.719 HD23 HG22 ' A' ' 55' ' ' THR . 9.5 mt -99.65 99.26 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -84.71 117.7 23.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.75 -150.79 5.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.445 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 64.6 m95 -135.67 149.95 49.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.302 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.0 t -79.88 12.1 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.6 p -99.21 -50.61 4.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.9 p -114.09 179.96 3.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -89.65 -20.97 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.792 ' HG2' HG23 ' A' ' 63' ' ' ILE . 18.7 tpp180 -41.78 130.12 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.55 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -146.95 136.8 23.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.499 HG21 ' N ' ' A' ' 60' ' ' PHE . 10.7 t -148.44 146.24 28.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.719 HG22 HD23 ' A' ' 44' ' ' LEU . 23.7 p -90.25 -27.26 19.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 59' ' ' ASP . 7.0 t0 -71.56 104.5 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -41.09 -35.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -67.23 -40.76 86.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.0 OUTLIER -68.3 -41.77 80.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.499 ' N ' HG21 ' A' ' 54' ' ' THR . 1.3 t80 -52.3 -36.36 52.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.415 HD23 ' CE2' ' A' ' 60' ' ' PHE . 12.1 mt -79.57 -18.5 51.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.3 t -86.21 -30.88 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.792 HG23 ' HG2' ' A' ' 52' ' ' ARG . 80.9 mt -34.04 101.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.217 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.9 p -58.87 139.29 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.069 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.558 ' C ' HG22 ' A' ' 32' ' ' THR . . . -47.16 143.91 5.31 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.441 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 p -99.04 -14.17 19.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.591 HG22 ' N ' ' A' ' 68' ' ' LYS . 91.0 m -108.44 163.97 12.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.591 ' N ' HG22 ' A' ' 67' ' ' THR . 31.7 mmtt -127.35 142.15 51.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.6 -154.63 13.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.1 mtm105 -103.71 127.91 51.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.604 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 63.7 m-70 -47.51 140.99 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.454 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 20.0 m-20 -96.83 108.68 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.6 p -83.25 16.14 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -136.32 133.67 37.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.9 mttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -171.75 144.74 1.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -143.1 168.52 19.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.07 -117.15 5.53 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -78.91 123.0 26.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.869 0.366 . . . . 0.0 110.894 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -108.25 -64.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.32 -25.58 0.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.42 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.9 ptp -86.59 8.26 22.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.5 101.54 7.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.054 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.8 mt -80.92 136.04 35.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.721 HD12 ' N ' ' A' ' 12' ' ' CYS . 1.5 tp -79.79 122.13 26.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.721 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.7 t -78.27 134.07 37.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.405 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 94.3 m-85 -111.76 11.5 20.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.498 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 87.3 m-20 -77.5 126.37 30.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.817 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 -47.87 130.42 14.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.04 -17.96 57.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -108.27 -71.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.949 0.404 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.19 17.9 1.15 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.549 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -109.19 169.82 8.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -80.86 173.57 12.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.815 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.671 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 37.3 p90 -171.71 163.99 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 15.6 m-20 -111.28 126.36 28.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -38.43 7.84 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.46 -16.45 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.59 -25.67 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' THR . 9.5 t-20 -34.26 138.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.405 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 5.0 m -144.46 174.59 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -72.5 -3.2 23.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -134.73 36.45 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.82 -13.56 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.567 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.0 t -117.22 123.66 47.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.506 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -111.19 96.2 5.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 38.3 p90 -123.24 -175.68 3.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.517 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.5 m-70 -117.69 108.41 43.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.59 0.709 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.55 3.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.722 2.281 . . . . 0.0 112.342 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.97 -150.08 23.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.98 155.13 76.43 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.68 0.752 . . . . 0.0 111.07 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.6 Cg_endo -69.79 117.72 5.25 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -117.48 153.96 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.447 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 m-85 -136.73 96.13 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.551 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.41 128.89 51.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.424 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.4 m-20 55.11 41.67 31.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.71 6.01 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.757 HD23 HG22 ' A' ' 55' ' ' THR . 8.1 mt -98.94 97.67 8.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -83.25 117.61 23.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.98 -151.73 5.48 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.406 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 65.5 m95 -134.79 150.09 50.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.787 0.327 . . . . 0.0 110.984 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.4 t -80.3 13.06 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.1 p -100.21 -49.36 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 p -115.54 -178.32 3.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' ARG . 10.6 mtmt -89.32 -26.87 20.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.691 ' HG2' HG23 ' A' ' 63' ' ' ILE . 2.3 tpm_? -35.03 135.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.937 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.551 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -153.72 128.2 9.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.59 HG22 HD11 ' A' ' 63' ' ' ILE . 11.0 t -139.31 140.35 37.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.757 HG22 HD23 ' A' ' 44' ' ' LEU . 38.5 p -83.98 -27.83 28.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -70.75 104.68 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -42.45 -28.32 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -72.3 -47.44 49.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.82 -40.67 97.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.55 ' N ' HG21 ' A' ' 54' ' ' THR . 2.4 t80 -50.09 -38.32 38.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.6 mt -79.37 -18.54 52.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 t -86.17 -30.44 22.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.691 HG23 ' HG2' ' A' ' 52' ' ' ARG . 90.9 mt -35.36 101.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.183 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 64' ' ' VAL . 1.4 p -57.13 147.12 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.19 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.517 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -54.42 143.57 30.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.502 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.5 p -98.71 -10.94 22.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.598 HG22 ' N ' ' A' ' 68' ' ' LYS . 86.0 m -111.99 164.04 13.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.095 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.598 ' N ' HG22 ' A' ' 67' ' ' THR . 34.4 mmtt -127.03 143.17 51.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.91 -154.63 13.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -103.5 127.99 50.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.671 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 79.1 m-70 -47.87 133.81 13.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 29.2 p-10 -89.74 104.99 17.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.8 p -79.02 6.67 8.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -113.7 147.37 38.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -99.25 73.57 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.371 . . . . 0.0 110.796 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -99.4 175.32 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.77 -65.6 0.45 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.561 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 t 46.53 49.84 13.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.911 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 p -90.0 150.1 22.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.31 17.32 2.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.4 ptp -100.57 9.24 42.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.732 0.301 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.99 101.51 8.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 14.2 mt -81.79 138.98 35.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.5 tp -79.73 122.19 26.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.625 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.3 t -71.09 145.14 50.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 60.0 m-85 -126.53 37.22 4.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.522 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 85.9 m-20 -108.52 122.56 47.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -43.92 120.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.97 -16.25 36.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.514 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 t -113.29 -71.14 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.897 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.2 18.03 0.77 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -105.89 168.68 8.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.948 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -77.3 170.33 16.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.633 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 44.9 p90 -170.21 165.19 9.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.482 ' HB2' HG23 ' A' ' 25' ' ' THR . 0.6 OUTLIER -108.74 128.52 25.38 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.547 0.689 . . . . 0.0 110.913 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.92 2.36 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.64 2.227 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.63 -15.12 6.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.482 HG23 ' HB2' ' A' ' 22' ' ' ASP . 0.2 OUTLIER -119.26 -25.37 6.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.176 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 27' ' ' SER . 53.2 t-20 -37.4 139.66 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 6.9 m -144.75 170.08 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -69.1 -7.98 41.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.3 p30 -132.89 35.18 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.42 -14.91 11.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.055 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 44.4 t -117.2 132.15 56.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.816 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.546 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.3 m -119.18 99.99 7.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.522 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 29.7 p90 -127.37 -175.85 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.492 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.7 m-70 -117.06 107.35 45.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.614 0.721 . . . . 0.0 110.866 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 2.95 3.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.59 -150.0 24.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.24 155.08 77.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.689 0.757 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.76 119.16 6.15 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.674 2.249 . . . . 0.0 112.367 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -119.29 153.62 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.028 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.438 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.78 95.98 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.552 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.38 130.05 52.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.7 OUTLIER 54.19 42.08 31.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.53 6.6 5.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.595 HD23 HG22 ' A' ' 55' ' ' THR . 8.1 mt -99.34 98.89 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -84.97 116.72 23.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.97 -150.92 5.29 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.525 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.409 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 63.7 m95 -135.2 149.84 49.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.8 t -79.72 11.83 2.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.3 p -97.68 -51.37 4.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.8 p -113.79 -176.05 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 52' ' ' ARG . 13.4 mtpp -90.73 -28.04 18.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.677 ' HG2' HG23 ' A' ' 63' ' ' ILE . 16.3 tpp180 -34.44 133.84 0.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.552 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.6 tpp180 -153.11 125.37 8.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.65 HG21 ' N ' ' A' ' 60' ' ' PHE . 13.1 t -132.13 150.03 52.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.595 HG22 HD23 ' A' ' 44' ' ' LEU . 52.9 p -92.16 -29.53 16.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' SER . 68.3 m-20 -71.95 105.93 4.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -39.18 -28.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 56' ' ' ASP . 2.4 t -71.94 -53.12 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' C ' HG21 ' A' ' 54' ' ' THR . 0.9 OUTLIER -54.19 -42.25 69.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.65 ' N ' HG21 ' A' ' 54' ' ' THR . 2.9 t80 -51.06 -37.92 48.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.1 mt -81.02 -14.5 57.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.4 t -91.45 -31.67 15.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.677 HG23 ' HG2' ' A' ' 52' ' ' ARG . 90.4 mt -34.11 101.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.73 140.26 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.546 ' C ' HG22 ' A' ' 32' ' ' THR . . . -47.24 145.55 4.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.8 p -99.48 -18.56 17.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.942 0.401 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.621 HG22 ' N ' ' A' ' 68' ' ' LYS . 95.4 m -103.99 164.67 11.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.621 ' N ' HG22 ' A' ' 67' ' ' THR . 15.9 mmtp -127.13 143.74 51.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.44 -154.68 13.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -104.39 126.02 51.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.387 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.633 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 61.4 m-70 -44.12 134.68 4.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.518 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 12.4 m-20 -90.34 108.51 19.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -81.92 6.6 15.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -133.2 127.34 33.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.569 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 20.2 mmtt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 m -119.8 -7.41 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -53.2 140.35 26.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.11 -79.39 0.28 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -126.57 148.94 49.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -58.27 -59.15 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.893 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.69 3.15 90.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.429 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.3 ptp -122.31 15.37 10.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.2 95.84 10.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 9.7 mt -79.72 139.25 37.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.8 tp -79.99 123.54 27.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.649 ' N ' HD12 ' A' ' 11' ' ' LEU . 28.3 t -79.5 138.55 37.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.582 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 94.5 m-85 -119.48 35.22 4.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.497 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 89.3 m-20 -96.92 157.44 15.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' HB3' ' CZ3' ' A' ' 47' ' ' TRP . 6.2 mmt85 -69.51 115.33 8.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.42 -30.8 9.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -89.12 -72.34 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.14 19.32 0.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -114.19 170.34 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 110.959 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.532 ' NH1' HD22 ' A' ' 11' ' ' LEU . 17.9 mmt-85 -73.85 175.09 7.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 34.2 p90 -172.81 165.55 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.473 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 1.1 m-20 -111.59 122.51 37.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.721 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -39.13 6.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 0.0 112.427 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -50.78 -17.94 0.64 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -127.06 -26.39 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -39.67 130.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.52 -170.56 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -81.78 -1.07 45.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -136.33 34.81 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.59 -12.31 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.489 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 41.0 t -117.19 123.31 46.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.502 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -109.5 100.33 9.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.497 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 50.1 p90 -127.58 -175.63 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.462 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 92.2 m-70 -119.55 113.34 34.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.596 0.712 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 3.17 2.95 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.78 -149.77 16.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.538 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.86 155.02 76.67 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.9 Cg_endo -69.75 106.82 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.329 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -103.42 154.34 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.457 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.4 m-85 -136.77 95.7 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.55 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.75 131.13 53.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.8 OUTLIER 53.49 41.52 32.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 66.93 9.36 6.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.684 HD23 HG22 ' A' ' 55' ' ' THR . 10.5 mt -101.67 95.0 6.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -80.74 117.58 21.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.52 -150.9 5.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.43 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 54.9 m95 -134.82 146.69 49.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.738 0.304 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.5 t -78.32 9.54 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 p -97.3 -48.01 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.7 p -113.29 -179.18 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -93.4 -15.05 26.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.519 ' HG2' HG23 ' A' ' 63' ' ' ILE . 4.2 tpm_? -48.95 132.49 18.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.55 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 11.4 tpp180 -149.22 135.53 19.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.504 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.2 t -141.68 154.86 45.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.684 HG22 HD23 ' A' ' 44' ' ' LEU . 47.3 p -99.8 -24.48 14.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' PHE . 32.1 t0 -75.78 101.72 5.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' ASP . 6.2 t80 -37.19 -40.74 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 m -64.58 -49.2 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -60.4 -39.81 88.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.504 ' N ' HG21 ' A' ' 54' ' ' THR . 2.0 t80 -52.39 -44.28 65.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.473 HD23 ' CE2' ' A' ' 60' ' ' PHE . 52.5 mt -71.9 -11.58 60.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.3 t -89.2 -31.43 17.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.519 HG23 ' HG2' ' A' ' 52' ' ' ARG . 88.5 mt -34.07 100.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.16 137.63 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.502 ' C ' HG22 ' A' ' 32' ' ' THR . . . -42.8 142.76 1.57 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.9 p -99.07 -12.77 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.535 HG22 ' N ' ' A' ' 68' ' ' LYS . 32.0 m -111.77 161.48 16.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.177 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.535 ' N ' HG22 ' A' ' 67' ' ' THR . 12.6 mmtp -123.18 147.14 47.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.2 -152.36 12.04 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.377 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -107.75 130.27 54.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.736 0.303 . . . . 0.0 110.9 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.618 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 76.9 m-70 -46.88 136.01 8.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.44 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 16.9 m-20 -92.02 108.77 20.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 p -81.37 6.09 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -106.8 127.2 53.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.582 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 36.8 mttm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -130.09 178.7 6.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -153.36 150.68 29.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.92 -179.33 34.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 p -132.82 129.35 38.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.47 ' HB3' ' CE ' ' A' ' 8' ' ' MET . 0.7 OUTLIER -139.55 165.87 26.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.86 27.37 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.565 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.47 ' CE ' ' HB3' ' A' ' 6' ' ' SER . 0.0 OUTLIER -76.06 6.54 5.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 110.927 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.06 100.58 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 15.3 mt -79.33 142.28 36.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.679 HD22 ' NH1' ' A' ' 20' ' ' ARG . 2.1 tp -85.54 122.55 29.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.645 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.0 t -77.93 126.9 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 93.2 m-85 -102.99 6.95 39.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.849 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.492 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 90.3 m-20 -73.51 131.57 41.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -53.7 131.26 38.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.89 -21.63 44.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.503 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.34 -71.59 0.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.829 0.347 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.04 16.38 1.87 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.03 169.99 8.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.679 ' NH1' HD22 ' A' ' 11' ' ' LEU . 15.2 mmt-85 -81.15 174.69 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.623 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 40.7 p90 -172.67 164.27 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.486 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 56.1 m-20 -111.76 126.18 28.98 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.633 0.73 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -35.47 12.55 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.3 -13.2 3.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.486 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -128.19 -27.9 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 -179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 27' ' ' SER . 63.4 t-20 -34.04 139.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.477 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 5.8 m -142.06 -178.47 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -78.33 -5.85 53.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -134.46 36.61 3.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.23 -13.56 9.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.5 t -117.16 128.8 55.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.485 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -116.05 96.32 5.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.487 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 36.8 p90 -124.2 -175.75 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.526 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.3 m-70 -117.24 108.53 43.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.672 0.749 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 3.26 2.91 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.68 2.253 . . . . 0.0 112.366 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.82 -148.56 20.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.09 155.21 76.2 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 111.171 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.6 Cg_endo -69.72 117.79 5.29 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.718 2.279 . . . . 0.0 112.414 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.43 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -114.5 152.55 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.185 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.43 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -136.52 95.86 3.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.519 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 9.5 p80 -122.48 130.6 53.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.809 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 4.6 m-20 54.97 39.49 31.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.87 8.44 6.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.691 HD23 ' CG2' ' A' ' 55' ' ' THR . 9.1 mt -101.26 100.08 10.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -82.63 119.98 24.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.97 -148.66 4.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.42 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 53.5 m95 -140.83 149.03 41.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.809 0.338 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 t -79.38 11.01 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.3 p -98.8 -43.42 6.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -120.97 179.57 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -91.24 -18.14 24.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.8 ' HG2' HG23 ' A' ' 63' ' ' ILE . 11.9 tpt180 -46.16 125.25 6.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.519 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.3 tpp180 -142.31 127.67 18.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.602 HG21 ' N ' ' A' ' 60' ' ' PHE . 14.2 t -135.45 151.6 50.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.691 ' CG2' HD23 ' A' ' 44' ' ' LEU . 65.4 p -97.4 -23.24 16.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' ASP . 14.0 t0 -78.12 105.81 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.881 ' CZ ' HD11 ' A' ' 61' ' ' LEU . 19.6 t80 -40.14 -37.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -66.0 -39.44 90.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.788 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' ASP . 73.8 m-20 -71.4 -40.58 70.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.823 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.602 ' N ' HG21 ' A' ' 54' ' ' THR . 2.7 t80 -53.07 -42.94 66.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.881 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 4.3 mt -75.62 -13.04 60.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 t -90.51 -28.13 18.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.796 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.8 HG23 ' HG2' ' A' ' 52' ' ' ARG . 73.5 mt -35.59 102.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.1 p -58.79 137.28 21.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.526 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.45 142.91 4.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.464 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.4 p -98.08 -10.89 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.623 HG22 ' N ' ' A' ' 68' ' ' LYS . 95.6 m -111.78 164.75 12.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.623 ' N ' HG22 ' A' ' 67' ' ' THR . 9.0 mmtp -127.84 144.03 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.96 -154.98 15.01 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -103.49 126.86 50.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.835 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.623 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 73.2 m-70 -46.06 134.88 7.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 30.5 p-10 -90.88 110.12 21.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.2 t -82.19 18.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -142.25 128.46 19.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.56 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -108.64 161.17 15.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -80.68 133.85 35.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.67 70.06 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -102.72 -47.7 4.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -105.87 123.19 47.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.56 30.49 8.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.8 ptp -125.16 6.38 7.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.762 0.315 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.05 101.93 8.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.7 mt -82.25 135.84 35.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.4 tp -79.89 129.16 34.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.659 ' N ' HD12 ' A' ' 11' ' ' LEU . 13.6 t -85.74 138.05 32.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 96.5 m-85 -113.74 11.59 18.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.867 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 87.1 m-20 -77.2 125.36 29.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -45.6 128.42 8.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.78 -22.29 41.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.25 -71.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.908 0.385 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.22 19.38 0.64 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -112.94 171.34 7.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.587 ' NH1' HD22 ' A' ' 11' ' ' LEU . 22.0 mmt-85 -80.39 173.25 12.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.617 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 38.2 p90 -171.74 164.64 6.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -106.82 128.1 26.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.866 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -44.0 2.32 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -11.49 12.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 p -120.61 -23.73 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 27' ' ' SER . 55.5 t-20 -41.07 140.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.478 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 4.4 m -144.81 162.93 35.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -7.36 6.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 29' ' ' ASP . 48.6 p30 -133.44 38.89 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.27 -12.03 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 44.7 t -117.21 122.59 44.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -111.12 97.1 6.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.483 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 24.4 p90 -124.97 -175.73 3.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.567 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.1 m-70 -116.98 105.95 48.46 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.606 0.717 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 3.11 2.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.49 -147.43 20.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.95 155.26 76.4 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.62 0.724 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.4 Cg_endo -69.79 122.06 8.74 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.345 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -119.4 151.96 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.414 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -136.73 96.04 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.481 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 10.2 p80 -122.28 130.99 53.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 5.3 m-20 54.79 38.58 30.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 71.45 2.62 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.826 HD23 HG22 ' A' ' 55' ' ' THR . 8.1 mt -95.98 104.18 16.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -86.75 119.95 27.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.43 -148.2 4.69 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.405 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 56.7 m95 -140.99 149.87 42.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.4 p -79.92 12.15 2.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 p -98.71 -44.07 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.2 p -120.27 -177.49 3.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -92.68 -21.28 20.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.789 ' HG2' HG23 ' A' ' 63' ' ' ILE . 26.0 tpt180 -42.35 136.39 2.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.481 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.9 tpp180 -152.35 137.73 17.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.513 HG21 ' CB ' ' A' ' 59' ' ' ASP . 15.0 t -148.66 148.62 30.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.826 HG22 HD23 ' A' ' 44' ' ' LEU . 11.6 p -90.53 -29.44 17.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 59' ' ' ASP . 15.2 t0 -72.44 108.69 5.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.896 ' CZ ' HD11 ' A' ' 61' ' ' LEU . 24.5 t80 -43.28 -34.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.7 m -66.73 -37.68 85.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.513 ' CB ' HG21 ' A' ' 54' ' ' THR . 4.4 m-20 -69.74 -43.26 72.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.481 ' N ' HG21 ' A' ' 54' ' ' THR . 1.4 t80 -53.97 -32.77 54.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.896 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 8.3 mt -85.03 -9.94 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.2 t -97.57 -29.51 13.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.789 HG23 ' HG2' ' A' ' 52' ' ' ARG . 71.6 mt -34.19 104.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 45.8 t -59.65 130.33 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.053 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.567 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -41.48 143.84 0.83 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.513 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.9 p -98.7 -10.53 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.929 0.395 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.601 HG22 ' N ' ' A' ' 68' ' ' LYS . 86.4 m -111.51 163.98 13.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.178 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.601 ' N ' HG22 ' A' ' 67' ' ' THR . 29.8 mmtt -126.94 143.34 51.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.14 -152.17 10.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -108.2 126.42 52.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 110.796 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.617 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 69.1 m-70 -44.58 132.61 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 14' ' ' ASN . 29.6 p-10 -89.46 105.68 17.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t -77.1 4.18 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -128.72 126.26 39.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 2.1 mmmp? . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -59.58 126.78 28.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.945 0.402 . . . . 0.0 110.914 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -55.4 166.8 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.63 -58.83 0.14 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 m -121.27 34.71 5.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.867 0.365 . . . . 0.0 110.766 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -78.45 102.6 7.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.33 35.96 4.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.417 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.1 ptp -120.02 6.83 10.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.08 102.15 9.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 10.9 mt -83.33 138.09 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.0 tp -79.94 119.43 22.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.568 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.8 t -68.2 145.43 54.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' ASN . 73.1 m-85 -125.52 37.19 4.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.485 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 83.8 m-20 -107.7 124.96 50.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.834 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -45.63 119.33 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.48 -18.85 32.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 t -108.67 -71.15 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.72 18.55 0.69 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.562 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -108.05 169.53 8.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.857 0.36 . . . . 0.0 110.812 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -78.65 171.04 15.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.635 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 47.0 p90 -170.16 168.5 8.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 30.2 m-20 -113.41 124.98 30.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.62 0.724 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -37.83 8.73 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.611 2.207 . . . . 0.0 112.374 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HG3' HG22 ' A' ' 25' ' ' THR . 19.4 pt-20 -53.9 -16.68 1.95 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -127.04 -25.28 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -40.01 127.64 2.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.82 -170.23 2.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 0.7 OUTLIER -81.78 -0.81 44.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -135.83 33.29 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.85 -14.15 10.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.039 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.568 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 51.0 t -116.93 131.58 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.568 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -119.28 98.6 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.485 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 27.4 p90 -125.71 -175.75 3.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.565 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.4 m-70 -117.51 106.79 45.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.488 0.661 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.44 2.75 Favored 'Trans proline' 0 N--CA 1.466 -0.126 0 C-N-CA 122.665 2.243 . . . . 0.0 112.364 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.36 -149.61 22.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.95 155.17 76.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.661 0.743 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.2 Cg_endo -69.82 122.01 8.68 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -122.85 131.63 72.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.43 95.72 4.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.418 ' NE2' ' HD2' ' A' ' 53' ' ' ARG . 3.4 p80 -122.78 131.53 53.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.557 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 6.3 m-20 55.31 36.22 26.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 74.68 5.6 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.597 HD23 HG22 ' A' ' 55' ' ' THR . 10.5 mt -98.68 101.54 12.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -92.97 117.02 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -152.68 -147.54 4.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.425 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 30.3 m95 -138.0 145.81 42.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.68 0.276 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.7 p -76.42 6.82 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.3 p -91.42 -39.85 11.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.7 p -122.75 175.51 6.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -86.81 -22.12 26.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.739 ' HG2' HG23 ' A' ' 63' ' ' ILE . 10.6 tpt180 -44.64 135.63 4.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' CG ' ' HB3' ' A' ' 44' ' ' LEU . 2.3 tpp85 -151.42 129.29 11.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.478 HG21 ' N ' ' A' ' 60' ' ' PHE . 14.4 t -129.05 162.32 27.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.597 HG22 HD23 ' A' ' 44' ' ' LEU . 71.9 p -109.85 -6.57 15.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 59' ' ' ASP . 2.7 m-20 -100.12 114.66 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -43.62 -41.48 4.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.5 t -64.51 -32.93 74.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' ASP . 34.9 m-20 -73.14 -40.08 65.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.579 ' CE2' HD23 ' A' ' 61' ' ' LEU . 1.2 t80 -52.76 -35.8 56.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.579 HD23 ' CE2' ' A' ' 60' ' ' PHE . 1.0 OUTLIER -83.38 -10.98 58.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.1 t -90.48 -33.44 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.739 HG23 ' HG2' ' A' ' 52' ' ' ARG . 88.3 mt -36.61 104.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' GLY . 1.4 p -61.91 130.16 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.072 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.568 ' C ' HG22 ' A' ' 32' ' ' THR . . . -38.3 144.18 0.23 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 30.5 p -99.02 -17.37 18.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.585 HG22 ' N ' ' A' ' 68' ' ' LYS . 88.4 m -103.74 163.07 12.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.585 ' N ' HG22 ' A' ' 67' ' ' THR . 30.5 mmtt -126.36 141.34 51.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.29 -153.81 11.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -103.66 131.38 50.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.635 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 68.3 m-70 -51.46 135.41 27.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.451 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 19.7 m-20 -91.76 102.79 15.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.7 t -71.18 -2.89 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' N ' ' CD ' ' A' ' 74' ' ' GLU . 9.0 mp0 -124.67 151.99 44.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.928 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -66.16 179.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -130.08 147.86 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.26 -83.17 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -93.35 113.57 25.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.899 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -116.96 -16.39 10.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.5 -39.13 3.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.07 7.35 11.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.328 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.0 98.85 6.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.0 mt -79.29 142.76 35.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 12' ' ' CYS . 6.8 tp -85.92 118.88 25.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.428 ' N ' HD12 ' A' ' 11' ' ' LEU . 13.2 t -71.6 137.78 48.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 93.8 m-85 -118.28 31.65 6.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.566 ' ND2' ' H ' ' A' ' 72' ' ' ASN . 86.0 m-20 -100.5 125.54 46.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -45.52 122.53 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.23 -25.22 24.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -100.62 -71.07 0.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.27 18.39 0.86 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -111.9 161.18 16.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -71.06 172.5 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.629 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 41.6 p90 -170.26 165.94 8.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.489 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 26.8 m-20 -112.72 125.82 29.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.661 0.743 . . . . 0.0 110.824 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.28 7.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -53.21 -15.77 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.489 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.9 -27.43 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 -179.885 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 27' ' ' SER . 61.1 t-20 -36.07 136.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.422 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 4.6 m -142.59 179.34 7.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -74.44 -3.82 32.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -134.51 36.76 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.76 -14.52 8.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.2 t -117.13 122.23 43.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.563 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.8 OUTLIER -111.1 97.17 6.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.144 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.482 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 27.4 p90 -123.54 -175.75 3.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.564 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.9 m-70 -117.15 106.29 47.51 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.535 0.683 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.83 -147.5 20.84 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.541 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.1 155.19 76.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.688 0.756 . . . . 0.0 111.091 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.3 Cg_endo -69.77 121.25 7.93 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.75 2.3 . . . . 0.0 112.262 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.414 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -118.3 151.9 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.414 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -136.68 96.03 3.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.467 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 12.2 p80 -122.18 130.43 53.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.511 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 2.0 m-20 54.74 38.54 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 72.28 -0.07 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.605 HD23 HG22 ' A' ' 55' ' ' THR . 7.6 mt -93.18 103.54 15.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -87.02 120.38 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.74 -148.07 4.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.413 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 55.9 m95 -141.19 150.03 42.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.8 t -80.0 12.2 2.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.1 p -99.12 -41.27 7.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.0 p -124.67 -178.56 4.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' ARG . 11.8 mtmt -89.44 -27.92 20.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.754 ' HG2' HG23 ' A' ' 63' ' ' ILE . 8.2 tpm_? -35.36 133.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.467 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.1 tpp180 -151.33 128.75 11.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.549 HG21 ' N ' ' A' ' 60' ' ' PHE . 14.7 t -138.68 150.35 46.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.605 HG22 HD23 ' A' ' 44' ' ' LEU . 75.3 p -93.95 -28.51 15.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 58' ' ' SER . 15.0 t0 -69.88 101.58 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' ASP . 81.4 t80 -35.82 -31.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 56' ' ' ASP . 98.7 p -72.44 -53.25 12.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.495 ' C ' HG21 ' A' ' 54' ' ' THR . 1.0 OUTLIER -56.21 -33.49 65.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.549 ' N ' HG21 ' A' ' 54' ' ' THR . 2.4 t80 -60.6 -38.69 85.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.799 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.426 HD23 ' CE2' ' A' ' 60' ' ' PHE . 2.0 mt -81.66 -7.63 59.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.4 t -96.99 -29.8 13.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.754 HG23 ' HG2' ' A' ' 52' ' ' ARG . 71.1 mt -34.04 104.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.3 p -57.18 134.99 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.084 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.564 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -45.52 145.02 2.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 p -98.26 -12.62 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.592 HG22 ' N ' ' A' ' 68' ' ' LYS . 93.4 m -109.78 163.09 13.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.592 ' N ' HG22 ' A' ' 67' ' ' THR . 37.7 mmtt -126.09 143.55 51.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.9 -154.32 13.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -104.69 130.94 52.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.323 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.629 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 78.5 m-70 -47.42 134.39 11.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.566 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 7.3 m-20 -89.74 108.34 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.1 p -82.47 10.44 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -121.69 144.54 48.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.474 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 41.9 mtmt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -114.1 158.46 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.9 p -172.44 148.01 1.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.1 156.09 24.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 p -77.32 115.46 17.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.952 0.406 . . . . 0.0 110.81 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 p -109.78 149.34 29.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.83 -2.43 4.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.41 7.96 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.64 100.34 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.3 mt -81.21 138.42 35.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.655 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.3 tp -79.85 121.67 25.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.655 ' N ' HD12 ' A' ' 11' ' ' LEU . 38.2 t -73.45 139.05 45.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.468 ' CE1' ' HG2' ' A' ' 75' ' ' LYS . 66.2 m-85 -122.09 40.63 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.52 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 83.9 m-20 -109.11 120.38 42.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -41.42 118.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.3 -11.66 39.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 t -117.46 -71.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.378 . . . . 0.0 110.897 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.75 18.67 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.414 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -106.88 166.9 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.472 ' NH1' HD22 ' A' ' 11' ' ' LEU . 16.7 mmt-85 -76.34 173.89 10.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.644 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 29.9 p90 -172.75 165.15 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.487 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 3.5 m-20 -112.33 125.21 30.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.552 0.691 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -37.34 9.22 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.719 2.279 . . . . 0.0 112.293 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.24 -18.18 3.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -124.63 -20.4 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.173 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.495 ' OD1' ' NE ' ' A' ' 70' ' ' ARG . 21.2 t-20 -34.21 146.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.475 ' OG ' ' HB2' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -148.48 165.07 32.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -69.89 -1.27 9.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 29' ' ' ASP . 43.8 p30 -136.37 26.21 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.797 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.475 ' HB2' ' OG ' ' A' ' 27' ' ' SER . . . -106.49 -13.74 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.3 t -117.2 126.7 53.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.546 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -115.35 99.32 7.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.52 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 27.7 p90 -124.62 -175.77 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.529 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 98.7 m-70 -116.78 106.8 47.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 34' ' ' HIS . 54.5 Cg_endo -69.68 2.83 3.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.95 -147.56 20.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.03 155.23 76.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.509 0.671 . . . . 0.0 111.199 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.78 121.59 8.27 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -118.83 152.1 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.421 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.64 96.12 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.509 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 9.4 p80 -122.25 130.26 53.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.0 OUTLIER 54.97 39.96 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 69.14 7.0 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.927 HD23 HG22 ' A' ' 55' ' ' THR . 10.4 mt -100.05 101.82 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -84.16 120.56 26.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.1 -148.3 4.71 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.457 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.412 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 54.6 m95 -141.71 149.6 40.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.772 0.32 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.6 p -79.79 11.91 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.9 p -98.79 -43.78 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.3 p -121.1 -178.38 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -91.18 -22.46 20.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.787 ' HG2' HG23 ' A' ' 63' ' ' ILE . 17.5 tpt180 -40.93 134.13 2.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.509 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.4 tpp180 -150.85 128.71 11.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.63 HG21 ' N ' ' A' ' 60' ' ' PHE . 13.3 t -138.4 143.56 39.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.199 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.927 HG22 HD23 ' A' ' 44' ' ' LEU . 33.9 p -86.67 -27.91 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -73.57 106.28 5.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -40.86 -33.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -67.41 -47.37 70.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.444 ' C ' HG21 ' A' ' 54' ' ' THR . 20.1 m-20 -61.67 -42.37 98.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.63 ' N ' HG21 ' A' ' 54' ' ' THR . 1.9 t80 -52.67 -40.25 62.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.554 HD23 ' CE2' ' A' ' 60' ' ' PHE . 14.2 mt -79.13 -7.3 58.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.6 t -99.98 -27.91 13.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.787 HG23 ' HG2' ' A' ' 52' ' ' ARG . 61.6 mt -34.12 102.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -55.54 128.83 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.546 ' C ' HG22 ' A' ' 32' ' ' THR . . . -39.87 144.32 0.42 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.7 p -98.63 -14.16 20.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.624 HG22 ' N ' ' A' ' 68' ' ' LYS . 90.3 m -107.59 165.26 11.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.624 ' N ' HG22 ' A' ' 67' ' ' THR . 23.1 mmtt -127.0 140.57 52.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.85 -156.74 16.36 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.495 ' NE ' ' OD1' ' A' ' 26' ' ' ASN . 27.0 mtp180 -104.1 133.09 49.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.644 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 84.4 m-70 -49.12 134.86 17.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.499 ' ND2' ' OD1' ' A' ' 14' ' ' ASN . 33.2 m-20 -91.58 107.89 19.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.8 p -80.73 9.97 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -131.51 134.91 46.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HG2' ' CE1' ' A' ' 13' ' ' TYR . 6.9 mtpm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -85.42 90.88 8.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.381 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -120.52 166.16 14.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.07 -30.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.517 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 t -103.91 75.15 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.777 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -60.58 -64.67 0.87 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.52 6.44 70.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.442 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 ptp -123.56 6.69 8.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.96 99.56 7.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.2 mt -80.39 137.66 36.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.7 tp -79.75 126.59 31.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.7 ' N ' HD12 ' A' ' 11' ' ' LEU . 11.0 t -74.95 142.83 43.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' ASN . 74.1 m-85 -122.28 35.37 4.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 82.1 m-20 -107.17 125.69 51.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -47.06 126.32 8.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.65 -19.63 49.49 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.7 t -109.01 -70.9 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.36 17.99 0.81 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -105.43 167.99 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.319 . . . . 0.0 110.952 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.629 ' NH1' HD22 ' A' ' 11' ' ' LEU . 22.6 mmt-85 -76.6 174.5 10.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.668 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 42.4 p90 -172.57 163.36 5.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 26' ' ' ASN . 5.7 m-20 -104.4 128.2 27.49 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.667 0.746 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -44.1 2.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.732 2.288 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -13.26 45.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -119.89 -17.01 8.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 27' ' ' SER . 28.3 t-20 -46.29 141.19 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.484 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 73.8 m -145.44 169.32 18.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -69.46 -7.37 37.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -131.63 35.41 3.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.41 -14.31 10.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 42.8 t -117.09 130.22 56.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.556 HG22 ' C ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -118.1 99.37 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.48 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 34.5 p90 -125.27 -175.79 3.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.964 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.506 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.6 m-70 -117.03 108.22 44.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.77 3.25 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.736 2.291 . . . . 0.0 112.304 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.67 -149.66 21.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.73 155.15 76.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.655 0.74 . . . . 0.0 111.131 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.8 Cg_endo -69.84 114.33 3.68 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.38 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.441 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -113.13 153.59 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.441 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.55 95.92 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.552 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.3 129.25 51.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 2.7 m-20 54.84 42.22 31.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 67.45 6.28 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.759 HD23 HG22 ' A' ' 55' ' ' THR . 9.7 mt -98.98 98.77 9.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -84.53 116.73 23.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.21 -151.44 5.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.414 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 64.6 m95 -135.1 149.69 50.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.733 0.301 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.3 t -79.75 11.74 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 p -99.26 -50.36 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.9 p -112.5 176.13 5.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -88.06 -18.0 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.643 ' HG2' HG23 ' A' ' 63' ' ' ILE . 8.2 tpt180 -45.25 139.35 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.552 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 11.5 tpp180 -153.65 143.02 21.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.589 HG21 ' N ' ' A' ' 60' ' ' PHE . 12.3 t -153.71 150.39 28.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.759 HG22 HD23 ' A' ' 44' ' ' LEU . 4.0 p -97.08 -25.26 15.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 59' ' ' ASP . 25.6 t0 -75.0 100.98 4.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.773 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.948 ' CZ ' HD11 ' A' ' 61' ' ' LEU . 43.6 t80 -35.54 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 56' ' ' ASP . 47.5 t -67.49 -47.32 70.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 56' ' ' ASP . 37.4 m-20 -63.82 -40.99 97.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.589 ' N ' HG21 ' A' ' 54' ' ' THR . 7.8 t80 -52.79 -45.73 67.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.948 HD11 ' CZ ' ' A' ' 57' ' ' PHE . 12.6 mt -73.83 -16.58 61.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -88.1 -33.88 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.643 HG23 ' HG2' ' A' ' 52' ' ' ARG . 91.6 mt -34.03 98.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.409 HG12 ' H ' ' A' ' 64' ' ' VAL . 1.0 OUTLIER -57.2 148.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.556 ' C ' HG22 ' A' ' 32' ' ' THR . . . -53.4 144.13 25.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.529 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.4 p -98.92 -16.81 18.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 68' ' ' LYS . 89.5 m -105.83 164.03 12.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.6 ' N ' HG22 ' A' ' 67' ' ' THR . 16.2 mmtp -125.69 144.44 50.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.78 -154.26 13.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.0 mtm105 -105.43 128.31 53.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.668 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 71.8 m-70 -47.1 137.82 7.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.468 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 27.8 m-20 -93.99 104.7 16.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.7 p -74.36 1.9 10.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -126.36 146.53 50.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -115.94 68.45 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -101.16 -27.94 12.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.34 -126.59 2.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 p -122.38 124.41 43.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 110.833 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t -66.35 -53.28 38.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.64 -0.55 4.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.56 8.02 12.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.777 0.323 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.88 107.0 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' A' ' 21' ' ' PHE . 7.3 mt -90.2 142.57 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.2 tp -79.85 120.64 24.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.556 ' N ' HD12 ' A' ' 11' ' ' LEU . 22.7 t -70.17 146.31 50.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' ASN . 52.2 m-85 -125.61 43.18 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.51 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 87.4 m-20 -117.72 123.09 45.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -41.84 121.91 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.3 -14.71 51.14 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' GLN . 1.3 t -115.01 -70.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.813 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.13 22.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' CYS . 0.8 OUTLIER -114.55 162.63 16.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.3 . . . . 0.0 110.97 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mmm-85 -64.2 172.41 2.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 71' ' ' HIS . 40.4 p90 -172.7 166.27 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.484 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 1.2 m-20 -109.19 119.7 47.79 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.608 0.718 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -38.11 8.05 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.64 2.227 . . . . 0.0 112.327 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -51.69 -17.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.484 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.72 -27.45 3.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' THR . 54.4 t-20 -35.25 125.05 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.531 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 46.4 m -135.51 173.41 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -7.52 7.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -130.69 36.04 3.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.531 ' HB3' ' H ' ' A' ' 27' ' ' SER . . . -121.4 -14.54 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.553 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 40.6 t -117.21 129.56 56.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.441 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -115.11 103.65 11.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.095 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.51 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 47.6 p90 -131.33 -175.83 3.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.511 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.4 m-70 -117.42 110.21 41.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.668 0.747 . . . . 0.0 110.816 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 1.72 4.22 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.617 2.211 . . . . 0.0 112.321 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.86 -149.52 22.45 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.454 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.24 155.09 76.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.735 0.779 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.6 Cg_endo -69.72 114.05 3.57 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.6 146.5 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -129.32 95.95 4.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.55 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.5 p80 -122.5 130.1 52.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.6 m-20 54.08 40.85 32.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.94 1.49 3.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.534 HD23 HG22 ' A' ' 55' ' ' THR . 6.1 mt -95.31 96.51 9.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -82.59 116.53 22.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.51 -151.66 5.48 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.445 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.404 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 67.2 m95 -134.76 149.86 50.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.737 0.303 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.7 p -79.88 12.08 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.2 p -101.01 -49.83 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -112.14 -178.41 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.29 -19.78 21.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.715 ' HG2' HG23 ' A' ' 63' ' ' ILE . 13.4 tpt180 -42.26 136.5 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.55 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.1 tpp180 -153.57 131.36 11.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.656 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.3 t -139.44 149.8 44.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.534 HG22 HD23 ' A' ' 44' ' ' LEU . 33.2 p -92.87 -24.53 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -79.01 108.78 12.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.541 ' CE2' HD11 ' A' ' 61' ' ' LEU . 78.1 t80 -43.23 -30.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 p -70.13 -43.9 70.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.447 ' C ' HG21 ' A' ' 54' ' ' THR . 5.6 m-20 -67.61 -39.84 84.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.656 ' N ' HG21 ' A' ' 54' ' ' THR . 2.3 t80 -52.7 -42.26 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.541 HD11 ' CE2' ' A' ' 57' ' ' PHE . 32.0 mt -76.07 -20.99 57.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.1 t -82.15 -29.96 31.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.715 HG23 ' HG2' ' A' ' 52' ' ' ARG . 82.0 mt -35.31 102.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 64' ' ' VAL . 1.5 p -60.15 138.65 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.511 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -46.05 143.52 4.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.6 p -98.75 -13.8 20.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.605 HG22 ' N ' ' A' ' 68' ' ' LYS . 86.2 m -109.53 164.78 12.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.605 ' N ' HG22 ' A' ' 67' ' ' THR . 13.6 mmtp -126.31 143.51 51.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.3 -152.9 10.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.46 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -108.4 129.2 55.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 70.5 m-70 -46.49 130.45 11.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 13' ' ' TYR . 9.9 m-20 -85.81 99.03 11.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.0 t -73.97 2.43 8.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' HA ' ' HZ3' ' A' ' 75' ' ' LYS . 98.6 mt-10 -139.87 121.19 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.459 ' HZ3' ' HA ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -148.42 139.3 23.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -172.21 150.95 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.52 117.63 1.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -91.73 95.44 9.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -103.13 142.69 33.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.41 26.23 8.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.453 ' O ' ' CD ' ' A' ' 23' ' ' PRO . 8.2 ptp -130.89 10.65 5.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.821 0.343 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.67 96.46 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 12.1 mt -79.78 138.04 37.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.2 tp -79.77 122.82 27.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.612 ' N ' HD12 ' A' ' 11' ' ' LEU . 22.7 t -73.37 145.98 45.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -125.41 33.23 5.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.491 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 85.1 m-20 -100.27 129.93 46.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -50.2 116.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.93 -15.06 37.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.35 -70.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.958 0.408 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.87 19.08 0.47 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -107.92 167.01 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -75.88 172.74 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 38.1 p90 -172.28 164.1 5.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 26' ' ' ASN . 0.8 OUTLIER -107.43 128.59 25.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 0.0 110.862 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.453 ' CD ' ' O ' ' A' ' 8' ' ' MET . 53.5 Cg_endo -69.79 -43.62 2.53 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -62.58 -12.08 20.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 p -122.61 -18.99 6.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 22' ' ' ASP . 64.0 t-20 -50.16 137.43 17.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.433 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 6.1 m -143.4 -175.32 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.78 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -78.04 -5.44 51.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -133.09 35.27 3.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.76 -14.56 9.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 32.4 t -116.96 131.23 57.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER -117.87 100.09 7.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.491 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 31.6 p90 -127.32 -175.79 3.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.537 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.0 m-70 -117.62 106.85 45.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.88 3.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.351 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.0 -148.1 20.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.34 155.89 75.46 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.568 0.699 . . . . 0.0 111.123 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 53.9 Cg_endo -69.76 104.93 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.27 . . . . 0.0 112.319 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -101.77 145.17 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.111 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 38' ' ' PRO . 0.8 OUTLIER -137.15 94.79 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.476 ' CE1' HH11 ' A' ' 53' ' ' ARG . 8.5 p80 -123.27 134.43 54.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.807 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.4 OUTLIER 52.72 44.18 30.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 66.78 2.81 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 41' ' ' HIS . 5.1 mt -96.36 98.22 10.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 10.7 mtmm -93.24 128.12 39.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.48 ' C ' ' CD1' ' A' ' 47' ' ' TRP . . . -158.08 -122.52 0.69 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.501 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.48 ' CD1' ' C ' ' A' ' 46' ' ' GLY . 68.5 m95 -158.2 146.71 18.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.9 t -79.53 10.92 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.9 p -99.55 -38.69 8.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.1 p -129.13 172.05 11.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -79.16 5.56 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.845 ' HG3' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -60.55 118.33 6.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.476 HH11 ' CE1' ' A' ' 41' ' ' HIS . 0.3 OUTLIER -154.19 124.2 6.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.4 ' CG2' HH12 ' A' ' 52' ' ' ARG . 2.8 t -128.73 161.48 29.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.7 p -97.28 5.77 49.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.12 138.27 49.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -71.35 -49.17 45.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -60.27 -31.02 69.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.803 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -75.7 -33.5 60.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -52.77 -39.85 62.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.6 mt -73.95 -23.08 59.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -69.49 -29.84 67.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.845 HG23 ' HG3' ' A' ' 52' ' ' ARG . 71.1 mt -42.11 129.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.462 ' O ' ' CE1' ' A' ' 34' ' ' HIS . 38.8 t -98.54 146.01 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.642 ' O ' HG22 ' A' ' 32' ' ' THR . . . -46.02 137.37 7.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.531 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 29.4 p -97.73 -10.89 24.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.942 0.401 . . . . 0.0 110.919 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.61 HG22 ' N ' ' A' ' 68' ' ' LYS . 91.4 m -108.8 165.06 11.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.61 ' N ' HG22 ' A' ' 67' ' ' THR . 15.9 mmtp -125.66 141.88 51.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.16 -149.09 7.57 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -108.68 128.25 54.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.575 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 83.0 m-70 -49.39 141.39 9.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' ND2' ' OD1' ' A' ' 14' ' ' ASN . 60.3 m-20 -99.16 108.11 20.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 p -81.75 9.37 8.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -122.71 122.83 39.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.2 mttt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -82.14 96.85 7.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.899 0.38 . . . . 0.0 110.845 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 t -128.66 170.37 13.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.774 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.57 2.56 8.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -85.17 54.71 3.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -69.26 175.69 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.32 27.08 12.04 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.439 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.7 ptp -101.68 6.51 41.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.735 0.302 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.47 102.66 7.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.7 mt -81.7 143.13 32.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.723 HD12 ' N ' ' A' ' 12' ' ' CYS . 1.8 tp -83.91 122.52 28.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.723 ' N ' HD12 ' A' ' 11' ' ' LEU . 41.9 t -74.78 133.45 41.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.584 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 89.9 m-85 -114.45 27.15 9.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.502 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 86.0 m-20 -95.36 123.32 38.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.413 ' NH2' ' HG3' ' A' ' 38' ' ' PRO . 14.8 mtp180 -44.39 125.42 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.55 -3.34 57.71 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.79 -72.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.79 20.25 1.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.35 166.36 11.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.723 0.297 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -75.88 173.59 10.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.649 ' CB ' ' CD2' ' A' ' 71' ' ' HIS . 35.9 p90 -172.81 164.4 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.478 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 94.4 m-20 -111.96 126.0 29.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -30.95 21.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.414 ' HG3' HG22 ' A' ' 25' ' ' THR . 0.4 OUTLIER -63.35 -13.4 38.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.478 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -126.6 -25.27 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 25' ' ' THR . 57.4 t-20 -34.15 136.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.418 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 7.0 m -145.32 171.99 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -1.52 8.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -137.44 39.19 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.67 -12.92 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.061 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 t -117.2 125.61 51.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.552 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -111.8 95.86 5.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.171 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.502 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 28.1 p90 -124.41 -175.05 3.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.459 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 97.7 m-70 -120.5 107.5 38.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.596 0.712 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 3.19 2.9 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.62 -148.06 20.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.475 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.24 156.21 75.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.682 0.753 . . . . 0.0 111.116 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HG3' ' NH2' ' A' ' 15' ' ' ARG . 53.8 Cg_endo -69.71 116.44 4.56 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.665 2.243 . . . . 0.0 112.304 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -112.39 151.85 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.1 m-85 -136.79 95.88 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.492 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 12.6 p80 -122.42 130.52 53.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.496 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 2.3 m-20 54.74 38.74 30.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 71.74 1.33 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.065 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.693 HD23 HG22 ' A' ' 55' ' ' THR . 9.7 mt -94.26 99.67 11.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 14.1 mttp -84.3 118.93 24.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.22 -146.47 4.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -139.76 147.4 40.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.718 0.294 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -79.45 11.29 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.7 p -97.16 -41.25 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.8 p -122.48 -177.07 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -93.3 -18.37 22.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.823 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.749 ' HG2' HG23 ' A' ' 63' ' ' ILE . 15.1 tpt180 -45.61 135.5 6.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.492 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 9.0 tpp180 -153.03 131.01 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.537 HG21 ' N ' ' A' ' 60' ' ' PHE . 15.4 t -134.87 149.37 50.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.693 HG22 HD23 ' A' ' 44' ' ' LEU . 18.5 p -93.55 -17.5 23.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -87.39 114.95 24.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -46.79 -42.6 17.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -46.09 89.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -65.0 -40.14 94.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.615 ' CE2' HD23 ' A' ' 61' ' ' LEU . 4.8 t80 -49.24 -44.62 43.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.615 HD23 ' CE2' ' A' ' 60' ' ' PHE . 6.7 mt -77.07 -11.33 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.6 t -90.26 -30.49 17.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.749 HG23 ' HG2' ' A' ' 52' ' ' ARG . 79.2 mt -34.08 100.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.3 p -56.37 134.63 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.552 ' C ' HG22 ' A' ' 32' ' ' THR . . . -41.21 143.88 0.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.461 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.1 p -99.06 -18.35 17.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.593 HG22 ' N ' ' A' ' 68' ' ' LYS . 62.8 m -106.0 163.74 12.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.593 ' N ' HG22 ' A' ' 67' ' ' THR . 22.8 mmtt -126.41 140.36 52.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.5 -149.19 7.71 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -106.92 133.95 50.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.649 ' CD2' ' CB ' ' A' ' 21' ' ' PHE . 97.3 m-70 -46.34 173.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.475 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . 0.9 OUTLIER -128.95 106.18 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.4 t -82.18 3.89 25.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.47 155.3 39.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.584 ' HG3' ' CD1' ' A' ' 13' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -164.3 139.99 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 p -92.39 144.93 24.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.89 119.39 2.98 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 t -78.91 71.89 5.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.827 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -77.1 166.72 22.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.65 23.65 0.93 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 ptp -118.54 6.54 11.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.12 102.84 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 10.0 mt -82.71 137.54 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 12' ' ' CYS . 3.3 tp -79.88 119.77 23.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.539 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.4 t -68.04 144.49 55.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' ASN . 70.8 m-85 -124.1 36.85 4.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.511 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 85.8 m-20 -106.11 128.1 53.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.81 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -48.62 117.47 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.74 -23.14 22.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.4 t -103.17 -71.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.19 19.8 0.71 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -108.14 167.49 9.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.916 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -76.84 170.97 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.658 ' CD1' ' CB ' ' A' ' 71' ' ' HIS . 43.8 p90 -170.31 166.84 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.483 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 13.0 m-20 -113.37 125.34 29.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -36.63 10.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.668 2.246 . . . . 0.0 112.309 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -14.83 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.483 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -127.39 -26.89 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.143 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' THR . 62.2 t-20 -34.34 135.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.407 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 33.9 m -142.67 179.82 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -74.45 -4.56 37.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -135.47 39.82 2.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.3 -14.5 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 35.4 t -117.22 128.88 55.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.41 HG22 ' C ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -115.59 106.68 14.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.168 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.511 ' CG ' ' HB3' ' A' ' 14' ' ' ASN . 23.0 p90 -135.57 -175.75 4.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.57 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 99.3 m-70 -117.38 106.17 47.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.524 0.678 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 34' ' ' HIS . 54.3 Cg_endo -69.61 3.06 2.92 Favored 'Trans proline' 0 C--O 1.23 0.087 0 C-N-CA 122.727 2.285 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.52 -161.43 24.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.24 155.7 61.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.622 0.725 . . . . 0.0 111.123 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.7 Cg_endo -69.83 123.11 9.76 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.467 HG13 ' NH2' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -125.0 148.71 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.41 95.44 3.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.779 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.508 ' CD2' HH21 ' A' ' 53' ' ' ARG . 4.3 p80 -122.99 135.9 54.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.9 OUTLIER 52.47 44.66 29.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 68.39 0.63 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.42 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 15.2 mt -94.04 113.03 24.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -104.36 119.56 39.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.422 ' HA3' ' NH1' ' A' ' 53' ' ' ARG . . . -155.26 -146.48 4.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.464 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 49.3 m95 -136.29 147.57 47.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.848 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -69.45 -0.7 6.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.7 p -89.53 -36.42 15.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.3 p -128.08 176.3 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 52' ' ' ARG . 14.4 mmtt -93.5 -26.72 17.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.597 ' HG2' HG23 ' A' ' 63' ' ' ILE . 18.8 tpp180 -33.89 139.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.508 HH21 ' CD2' ' A' ' 41' ' ' HIS . 14.9 mmt-85 -152.74 149.48 28.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 t -152.3 126.22 9.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -66.22 -11.09 47.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -92.41 129.5 38.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -65.93 -35.72 81.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 t -66.89 -54.14 25.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -56.51 -36.57 69.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -51.6 -50.45 60.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.78 -0.03 12.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER -100.98 -27.86 13.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.597 HG23 ' HG2' ' A' ' 52' ' ' ARG . 55.0 mt -35.18 115.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.1 t -65.99 129.4 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.57 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -39.34 143.83 0.36 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.527 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.5 p -100.52 -12.65 19.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.615 HG22 ' N ' ' A' ' 68' ' ' LYS . 70.9 m -107.34 165.47 11.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.615 ' N ' HG22 ' A' ' 67' ' ' THR . 4.4 mmtm -130.59 140.59 50.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.84 -152.23 9.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -105.68 127.55 53.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.658 ' CB ' ' CD1' ' A' ' 21' ' ' PHE . 69.4 m-70 -46.95 133.89 10.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 13' ' ' TYR . 19.6 m-20 -92.17 106.22 18.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.0 t -77.87 5.76 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -130.35 133.42 46.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -103.7 168.54 9.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.934 0.397 . . . . 0.0 110.815 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -138.8 144.52 39.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.06 160.0 53.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -107.25 167.81 9.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.937 0.399 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -69.67 147.72 50.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.823 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.78 -19.14 20.76 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.4 ptp -83.11 11.61 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.344 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.47 97.73 6.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 11.0 mt -80.61 139.3 36.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 12' ' ' CYS . 2.0 tp -79.8 122.63 26.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.707 ' N ' HD12 ' A' ' 11' ' ' LEU . 25.4 t -73.45 146.95 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.467 ' CD1' ' CD ' ' A' ' 75' ' ' LYS . 54.9 m-85 -127.08 37.14 4.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.484 ' HB3' ' CB ' ' A' ' 33' ' ' TYR . 84.7 m-20 -108.02 125.46 51.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.4 mtt-85 -44.2 125.37 4.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.19 -17.84 56.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -110.28 -71.99 0.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.87 19.56 0.35 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -108.09 168.79 9.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.969 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -74.8 173.76 10.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 10' ' ' LEU . 36.2 p90 -172.76 163.68 5.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.489 ' HB2' ' CG2' ' A' ' 25' ' ' THR . 50.9 m-20 -111.03 124.63 32.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.732 . . . . 0.0 110.844 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -33.26 17.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.34 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.12 -10.7 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.489 ' CG2' ' HB2' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -129.71 -29.87 2.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 25' ' ' THR . 61.9 t-20 -37.23 138.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.531 ' H ' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -137.84 -177.32 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.496 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 2.1 t70 -75.54 6.32 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' HA ' ' HB3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -150.54 26.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.531 ' HB3' ' H ' ' A' ' 27' ' ' SER . . . -102.04 -9.46 20.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 71' ' ' HIS . 34.9 t -117.67 127.42 53.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.544 HG22 ' HA3' ' A' ' 65' ' ' GLY . 3.0 m -110.35 108.77 18.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.484 ' CB ' ' HB3' ' A' ' 14' ' ' ASN . 40.2 p90 -135.28 -175.67 4.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.944 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.545 ' CE1' ' HA2' ' A' ' 65' ' ' GLY . 91.0 m-70 -117.3 108.51 43.58 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.717 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.9 3.1 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.7 2.266 . . . . 0.0 112.372 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.99 -151.53 22.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.82 155.1 78.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.688 0.756 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.454 ' HD3' ' CZ3' ' A' ' 47' ' ' TRP . 53.4 Cg_endo -69.79 117.7 5.24 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.691 2.26 . . . . 0.0 112.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -117.13 154.0 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.45 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 1.4 m-85 -136.82 95.73 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.549 ' NE2' ' NE ' ' A' ' 53' ' ' ARG . 3.3 p80 -122.91 131.5 53.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 18.4 m-20 53.35 40.96 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . 66.94 10.53 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.656 HD23 HG22 ' A' ' 55' ' ' THR . 9.5 mt -102.82 94.97 5.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 55' ' ' THR . 11.2 mttp -81.28 119.94 24.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -151.74 -149.75 5.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.454 ' CZ3' ' HD3' ' A' ' 38' ' ' PRO . 47.8 m95 -137.65 148.45 45.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.787 0.327 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.6 t -79.46 10.55 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.422 ' SG ' ' CB ' ' A' ' 47' ' ' TRP . 3.6 p -95.45 -46.93 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 66' ' ' CYS . 1.8 p -115.47 179.3 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -93.32 -6.11 48.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.56 ' HG2' HG23 ' A' ' 63' ' ' ILE . 12.9 tpt180 -57.93 135.44 56.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.549 ' NE ' ' NE2' ' A' ' 41' ' ' HIS . 10.7 tpp180 -153.48 129.89 10.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.0 t -130.48 145.58 51.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.656 HG22 HD23 ' A' ' 44' ' ' LEU . 9.7 p -83.82 -23.35 31.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.74 153.56 32.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 5.8 t80 -83.41 -30.42 27.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t -73.6 -48.65 31.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.7 -42.15 74.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.48 ' CE2' HD23 ' A' ' 61' ' ' LEU . 7.6 t80 -47.44 -46.8 26.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.48 HD23 ' CE2' ' A' ' 60' ' ' PHE . 18.7 mt -73.18 -15.71 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.1 t -85.14 -33.58 22.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.56 HG23 ' HG2' ' A' ' 52' ' ' ARG . 97.7 mt -34.19 99.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.82 135.75 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.545 ' HA2' ' CE1' ' A' ' 34' ' ' HIS . . . -39.88 141.5 0.71 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 50' ' ' CYS . 29.1 p -95.86 -16.42 21.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.627 HG22 ' N ' ' A' ' 68' ' ' LYS . 91.8 m -110.47 165.54 11.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.627 ' N ' HG22 ' A' ' 67' ' ' THR . 12.9 mmtp -128.43 144.58 51.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 28' ' ' ASP . . . -175.2 -146.86 5.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.497 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 27' ' ' SER . 33.4 mtt180 -109.54 133.1 53.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 31' ' ' CYS . 83.1 m-70 -54.55 134.23 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.46 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 10.4 m-20 -93.38 106.19 18.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.1 p -76.87 4.69 9.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -130.12 131.14 45.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.467 ' CD ' ' CD1' ' A' ' 13' ' ' TYR . 3.3 mmmm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_